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Isotope-labelled compounds

Pyrazole-d4

Also known as 1H-pyrazole-d4, Pyrazole-d4, 97 atom % D, 98% (CP)

CAS 53013-62-0Formula C3H4N2Molar mass 72.10 g/molEC 685-775-9
GHS signal word: Warning. Pictograms: Harmful or irritant
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Pyrazole-d4 chemical structure, C3H4N2, CAS 53013-62-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53013-62-0
Formula
C3H4N2
Molar mass
72.10 g/mol
EC number
685-775-9
HS code
284590
Category
Isotope-labelled compounds

What is Pyrazole-d4?

Plain description, key identifiers and synonyms

Pyrazole-d4 is a chemical substance with the molecular formula C3H4N2 and a molar mass of 72.10 g/mol. Its CAS registry number is 53013-62-0. The IUPAC name is 1,3,4,5-tetradeuteriopyrazole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3,4,5-tetradeuteriopyrazole
CAS number
53013-62-0
EC number
685-775-9
Molecular formula
C3H4N2
InChIKey
WTKZEGDFNFYCGP-MSWVZFBTSA-N
InChI
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/i1D,2D,3D/hD
Canonical SMILES
c1cn[nH]c1
Isomeric SMILES
[2H]C1=C(N(N=C1[2H])[2H])[2H]

Synonyms

  • 1H-pyrazole-d4
  • Pyrazole-d4, 97 atom % D, 98% (CP)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
72.10 g/molcalc.
Exact mass
72.0626 Dacalc.
LogP (octanol/water)
0.41calc.
Topological polar surface area
28.68 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
5calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1cn[nH]c1

c1cn[nH]c1

1 ring, 5 atoms, the Pyrazole ring system.

40,521 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Pyrazole-d4 suppliers

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Pyrazole-d4 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pyrazole-d4 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Pyrazole-d4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pyrazole-d4, based on the data on this page

What is Pyrazole-d4?

Pyrazole-d4 is a chemical substance with the molecular formula C3H4N2 and a molar mass of 72.10 g/mol. Its CAS registry number is 53013-62-0. The IUPAC name is 1,3,4,5-tetradeuteriopyrazole.

What is the CAS number of Pyrazole-d4?

The CAS registry number of Pyrazole-d4 is 53013-62-0.

What is the molecular formula and weight of Pyrazole-d4?

The molecular formula of Pyrazole-d4 is C3H4N2 and its molar mass is 72.10 g/mol.

What is Pyrazole-d4 used for?

Known uses and roles of Pyrazole-d4 include isotope-labelled compounds in research and laboratory.

Is Pyrazole-d4 hazardous?

Pyrazole-d4 carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pyrazole-d4?

Pyrazole-d4 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pyrazole-d4?

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What is the price of Pyrazole-d4?

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Guides for buyers

Practical guides that help when you source, ship or handle Pyrazole-d4

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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