2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C16H14F5N3O3 — CID 23220106

IUPAC2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)c(C(F)F)nc(C(F)(F)F)c1C(=O)n1cccn1
InChIInChI=1S/C16H14F5N3O3/c1-7(2)6-8-9(15(26)27)11(13(17)18)23-12(16(19,20)21)10(8)14(25)24-5-3-4-22-24/h3-5,7,13H,6H2,1-2H3,(H,26,27)
InChIKeyAZGHPECHQPBFIV-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.82
Rot. Bonds5

About 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 23220106) has the molecular formula C16H14F5N3O3 and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID23220106
Molecular FormulaC16H14F5N3O3
Molecular Weight391.30 g/mol
Exact Mass391.10
IUPAC Name2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)c(C(F)F)nc(C(F)(F)F)c1C(=O)n1cccn1
InChIInChI=1S/C16H14F5N3O3/c1-7(2)6-8-9(15(26)27)11(13(17)18)23-12(16(19,20)21)10(8)14(25)24-5-3-4-22-24/h3-5,7,13H,6H2,1-2H3,(H,26,27)
InChIKeyAZGHPECHQPBFIV-UHFFFAOYSA-N
XLogP3.82
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-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 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 23220106) is 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CC(C)Cc1c(C(=O)O)c(C(F)F)nc(C(F)(F)F)c1C(=O)n1cccn1.
What is the InChIKey of 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is AZGHPECHQPBFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5N3O3/c1-7(2)6-8-9(15(26)27)11(13(17)18)23-12(16(19,20)21)10(8)14(25)24-5-3-4-22-24/h3-5,7,13H,6H2,1-2H3,(H,26,27).
What are the key properties of 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 391.30 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 23220106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).