chempirical

1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

C11H8ClF3N4OCAS 175137-34-5304.66 g/mol

Open in Covalent MOL file
NNONHH2NFFFCl
Alkyl halideAmideAryl halidePrimary amine

Properties

Molecular formula
C11H8ClF3N4O
Molar mass
304.66 g/mol
Exact mass
304.0339 Da
logP
2.15Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
175137-34-5
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)C(=O)NN)C(F)(F)F)Cl
InChIKey
XAUUHCLUKWEZCQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H8ClF3N4O/c12-6-1-3-7(4-2-6)19-9(11(13,14)15)8(5-17-19)10(20)18-16/h1-5H,16H2,(H,18,20)

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Names and synonyms

1 names
  • 2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid hydrazide

Work with 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-80-665 % similar Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate112055-36-458 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-14-150 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-81-747 % similar 1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride175137-36-746 % similar 4-Chlorobenzoic acid hydrazide536-40-343 % similar 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid142818-03-943 % similar 1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester175137-38-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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