5-Chloro-3-methyl-1-phenyl-1H-pyrazole

C₁₀H₉ClN₂CAS 1131-17-5192.65 g/mol

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Properties

Molecular formula: C₁₀H₉ClN₂
Molar mass: 192.65 g/mol
Exact mass: 192.0454 Da
Density: 1.1901 g/mL (at 20 °C)
Boiling point: 81 °C (at 0.04 Torr)
logP: 2.83Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

1131-17-5

SMILES

Cc1cc(Cl)n(-c2ccccc2)n1

InChIKey

ZZOWFLAMMWOSCG-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3

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Names and synonyms

3 names

1H-Pyrazole, 5-chloro-3-methyl-1-phenyl-
Pyrazole, 5-chloro-3-methyl-1-phenyl-
5-Chloro-3-methyl-1-phenylpyrazole

Work with 5-Chloro-3-methyl-1-phenyl-1H-pyrazole

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

3,5-Dimethyl-1-phenylpyrazole1131-16-465 % similar 5-Amino-3-methyl-1-phenylpyrazole1131-18-661 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-355 % similar 3-Methyl-1-phenyl-1H-pyrazole1128-54-744 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde947-95-540 % similar 5-Chloro-1-phenyl-1H-tetrazole14210-25-439 % similar 5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-737 % similar 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine126208-61-537 % similar

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

Same formula

2-(Chloromethyl)-4-methylquinazoline109113-72-6

Elsewhere

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