5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid

C12H10F3N3O2 — CID 19847546

IUPAC5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1C(=O)O
InChIInChI=1S/C12H10F3N3O2/c1-6-9(11(19)20)10(18-17-6)16-8-4-2-7(3-5-8)12(13,14)15/h2-5H,1H3,(H,19,20)(H2,16,17,18)
InChIKeyLSURGBSRWWQFNX-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.18
Rot. Bonds3

About 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid

5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid (PubChem CID 19847546) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid
PubChem CID19847546
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1C(=O)O
InChIInChI=1S/C12H10F3N3O2/c1-6-9(11(19)20)10(18-17-6)16-8-4-2-7(3-5-8)12(13,14)15/h2-5H,1H3,(H,19,20)(H2,16,17,18)
InChIKeyLSURGBSRWWQFNX-UHFFFAOYSA-N
XLogP3.18
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[5-Methyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazol-4-yl]-methanol
CID 10635802
5-Methyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carboxylic acid ethyl ester
CID 10710291
5-Anilino-3-methyl-4-pyrazolecarboxylic acid
CID 13446789
5-Amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25148512
3-Methyl-5-(o-tolylamino)-1h-pyrazole-4-carboxylic acid
CID 19847544
N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide
CID 71845871
ethyl 3-methyl-5-(phenylamino)-1H-pyrazole-4-carboxylate
CID 4153579
5-Amino-3-ethyl-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 53430304
5-Amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
CID 57458978
ethyl 3-(2-amino-4-fluoroanilino)-5-methyl-1H-pyrazole-4-carboxylate
CID 70039872
5-Amino-1-(2-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
CID 71044411
5-Amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 91231371

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid (CID 19847546) is 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid?
The InChIKey is LSURGBSRWWQFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-6-9(11(19)20)10(18-17-6)16-8-4-2-7(3-5-8)12(13,14)15/h2-5H,1H3,(H,19,20)(H2,16,17,18).
What are the key properties of 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid?
5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid has a molecular weight of 285.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 19847546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).