1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C10H6F3N3O2 — CID 16787723

IUPAC1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)8-6(9(17)18)5-15-16(8)7-3-1-2-4-14-7/h1-5H,(H,17,18)
InChIKeyZQXVRORVHVWEMM-UHFFFAOYSA-N
MW257.17 g/mol
LogP1.98
Rot. Bonds2

About 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 16787723) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID16787723
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)8-6(9(17)18)5-15-16(8)7-3-1-2-4-14-7/h1-5H,(H,17,18)
InChIKeyZQXVRORVHVWEMM-UHFFFAOYSA-N
XLogP1.98
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-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 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 16787723) is 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccn2)c1C(F)(F)F.
What is the InChIKey of 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is ZQXVRORVHVWEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)8-6(9(17)18)5-15-16(8)7-3-1-2-4-14-7/h1-5H,(H,17,18).
What are the key properties of 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 257.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 16787723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).