1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Properties
- Molecular formula
- C11H6ClF3N2O2
- Molar mass
- 290.63 g/mol
- Exact mass
- 290.0070 Da
- Melting point
- 136–138 °C
- logP
- 3.24Crippen estimate
- Polar surface area
- 55.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
98534-80-6SMILES
O=C(O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)FInChIKey
HSZJMDBOSZVDOK-UHFFFAOYSA-NInChI
InChI=1S/C11H6ClF3N2O2/c12-6-1-3-7(4-2-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-(trifluoromethyl)-
- 1-(4-Chlorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
- 2-(4-Chlorophenyl)-3-(trifluoromethyl)-2H-pyrazole-4-carboxylic acid
- 2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
Work with 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Similar compounds
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-81-774 % similar
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Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate112055-36-462 % similar
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid119083-00-054 % similar
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-14-153 % similar
4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-049 % similar
5-Chloro-2-(trifluoromethyl)benzoic acid654-98-849 % similar
1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester175137-38-946 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds