5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid

C11H8F3N3O3 — CID 126739457

IUPAC5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1cc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H8F3N3O3/c1-5-7(10(19)20)4-15-17(5)8-2-6(11(12,13)14)3-9(18)16-8/h2-4H,1H3,(H,16,18)(H,19,20)
InChIKeyFREXZNSNYROTLO-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.59
Rot. Bonds2

About 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid

5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid (PubChem CID 126739457) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid
PubChem CID126739457
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1cc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H8F3N3O3/c1-5-7(10(19)20)4-15-17(5)8-2-6(11(12,13)14)3-9(18)16-8/h2-4H,1H3,(H,16,18)(H,19,20)
InChIKeyFREXZNSNYROTLO-UHFFFAOYSA-N
XLogP1.59
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]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

Related Compounds

1-[4-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5-methylpyrazole-4-carboxylic acid
CID 10223944
1-(4-tert-butylphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82089556
5-methyl-1-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid
CID 167787588
(NE)-N-[1-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethylidene]hydroxylamine
CID 22014746
ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 2805607
5-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 81254450
1-(1H-imidazol-2-yl)-5-methylpyrazole-4-carboxylic acid
CID 96624339
5-methyl-1-(4,4,4-trifluorobutyl)pyrazole-4-carboxylic acid
CID 115514373
1-(4,5-dichloro-2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 163322133
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137004182
7-methyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 3319791

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid (CID 126739457) is 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1-c1cc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is FREXZNSNYROTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c1-5-7(10(19)20)4-15-17(5)8-2-6(11(12,13)14)3-9(18)16-8/h2-4H,1H3,(H,16,18)(H,19,20).
What are the key properties of 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid?
5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 287.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 126739457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).