5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid

C13H10ClF3N4O3 — CID 91025053

IUPAC5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid
SMILESCc1nn(C)c(C(=O)Nc2cc(C(=O)O)c(Cl)cn2)c1C(F)(F)F
InChIInChI=1S/C13H10ClF3N4O3/c1-5-9(13(15,16)17)10(21(2)20-5)11(22)19-8-3-6(12(23)24)7(14)4-18-8/h3-4H,1-2H3,(H,23,24)(H,18,19,22)
InChIKeyLTSWQUOGWXJERB-UHFFFAOYSA-N
MW362.70 g/mol
LogP2.75
Rot. Bonds3

About 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid

5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid (PubChem CID 91025053) has the molecular formula C13H10ClF3N4O3 and a molecular weight of 362.70 g/mol. Its IUPAC name is 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid
PubChem CID91025053
Molecular FormulaC13H10ClF3N4O3
Molecular Weight362.70 g/mol
Exact Mass362.04
IUPAC Name5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid
SMILESCc1nn(C)c(C(=O)Nc2cc(C(=O)O)c(Cl)cn2)c1C(F)(F)F
InChIInChI=1S/C13H10ClF3N4O3/c1-5-9(13(15,16)17)10(21(2)20-5)11(22)19-8-3-6(12(23)24)7(14)4-18-8/h3-4H,1-2H3,(H,23,24)(H,18,19,22)
InChIKeyLTSWQUOGWXJERB-UHFFFAOYSA-N
XLogP2.75
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-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

Related Compounds

2-chloro-5-[2-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]benzoic acid
CID 58542555
N-(5-bromo-2-pyridinyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4771991
N-[3-(benzylcarbamoyl)-4-methylphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 163723911
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106034629
5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114919973
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114125776
5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919129
2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide
CID 166528850
4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide
CID 71526417
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid (CID 91025053) is 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid is Cc1nn(C)c(C(=O)Nc2cc(C(=O)O)c(Cl)cn2)c1C(F)(F)F.
What is the InChIKey of 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid?
The InChIKey is LTSWQUOGWXJERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4O3/c1-5-9(13(15,16)17)10(21(2)20-5)11(22)19-8-3-6(12(23)24)7(14)4-18-8/h3-4H,1-2H3,(H,23,24)(H,18,19,22).
What are the key properties of 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid?
5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid has a molecular weight of 362.70 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 91025053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).