3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C9H5ClF3N3O2 — CID 1480664

IUPAC3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nn2c(C(F)(F)F)c(C(=O)O)cnc2c1Cl
InChIInChI=1S/C9H5ClF3N3O2/c1-3-5(10)7-14-2-4(8(17)18)6(9(11,12)13)16(7)15-3/h2H,1H3,(H,17,18)
InChIKeyYLJBPGQARVBTKQ-UHFFFAOYSA-N
MW279.61 g/mol
LogP2.41
Rot. Bonds1

About 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 1480664) has the molecular formula C9H5ClF3N3O2 and a molecular weight of 279.61 g/mol. Its IUPAC name is 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID1480664
Molecular FormulaC9H5ClF3N3O2
Molecular Weight279.61 g/mol
Exact Mass279.00
IUPAC Name3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nn2c(C(F)(F)F)c(C(=O)O)cnc2c1Cl
InChIInChI=1S/C9H5ClF3N3O2/c1-3-5(10)7-14-2-4(8(17)18)6(9(11,12)13)16(7)15-3/h2H,1H3,(H,17,18)
InChIKeyYLJBPGQARVBTKQ-UHFFFAOYSA-N
XLogP2.41
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.61
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 1480664) is 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1nn2c(C(F)(F)F)c(C(=O)O)cnc2c1Cl.
What is the InChIKey of 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is YLJBPGQARVBTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3O2/c1-3-5(10)7-14-2-4(8(17)18)6(9(11,12)13)16(7)15-3/h2H,1H3,(H,17,18).
What are the key properties of 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 279.61 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 1480664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).