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Screening compounds

Orb1700447

Also known as (5S,7R)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS 1260243-45-5Formula C16H16F3N3O2Molar mass 339.32 g/mol
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Orb1700447 chemical structure, C16H16F3N3O2, CAS 1260243-45-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1260243-45-5
Formula
C16H16F3N3O2
Molar mass
339.32 g/mol
HS code
293359
Category
Screening compounds

What is Orb1700447?

Plain description, key identifiers and synonyms

Orb1700447 is a chemical substance with the molecular formula C16H16F3N3O2 and a molar mass of 339.32 g/mol. Its CAS registry number is 1260243-45-5. The IUPAC name is (5S,7R)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5S,7R)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CAS number
1260243-45-5
Molecular formula
C16H16F3N3O2
InChIKey
PZUHMVXZBLEHFM-QWHCGFSZSA-N
InChI
InChI=1S/C16H16F3N3O2/c1-2-9-3-5-10(6-4-9)12-7-13(16(17,18)19)22-14(21-12)11(8-20-22)15(23)24/h3-6,8,12-13,21H,2,7H2,1H3,(H,23,24)/t12-,13+/m0/s1
Canonical SMILES
CCc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1
Isomeric SMILES
CCC1=CC=C(C=C1)[C@@H]2C[C@@H](N3C(=C(C=N3)C(=O)O)N2)C(F)(F)F

Synonyms

  • (5S,7R)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

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
339.32 g/molcalc.
Exact mass
339.1195 Dacalc.
LogP (octanol/water)
3.8calc.
Topological polar surface area
67.15 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
2calc.
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, c1ccc(C2CCn3nccc3N2)cc1

c1ccc(C2CCn3nccc3N2)cc1

3 rings, 15 atoms.

100 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Orb1700447 suppliers

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Orb1700447 price

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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 Orb1700447 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1700447 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1700447, based on the data on this page

What is Orb1700447?

Orb1700447 is a chemical substance with the molecular formula C16H16F3N3O2 and a molar mass of 339.32 g/mol. Its CAS registry number is 1260243-45-5. The IUPAC name is (5S,7R)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the CAS number of Orb1700447?

The CAS registry number of Orb1700447 is 1260243-45-5.

What is the molecular formula and weight of Orb1700447?

The molecular formula of Orb1700447 is C16H16F3N3O2 and its molar mass is 339.32 g/mol.

What is Orb1700447 used for?

Known uses and roles of Orb1700447 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1700447 hazardous?

No GHS hazard classification for Orb1700447 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb1700447?

Orb1700447 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1700447?

Post a free request on CompoundList and suppliers of Orb1700447 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1700447?

Suppliers quote Orb1700447 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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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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