5-Chloro-1,3-dimethyl-1H-pyrazole

C₅H₇ClN₂CAS 54454-10-3130.58 g/mol

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Properties

Molecular formula: C₅H₇ClN₂
Molar mass: 130.58 g/mol
Exact mass: 130.0298 Da
Density: 1.14 g/mL (at 20 °C)
Boiling point: 157.5 °C
logP: 1.38Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

54454-10-3

SMILES

Cc1cc(Cl)n(C)n1

InChIKey

DDUSLFAWARYAPR-UHFFFAOYSA-N

InChI

InChI=1S/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3

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Names and synonyms

2 names

1H-Pyrazole, 5-chloro-1,3-dimethyl-
5-Chloro-1,3-dimethylpyrazole

Work with 5-Chloro-1,3-dimethyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-757 % similar 1,3,5-Trimethylpyrazole1072-91-956 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-555 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-152 % similar 5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole852227-86-252 % similar 2-Chloro-4,6-dimethylpyrimidine4472-44-041 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-438 % similar 5-Amino-3-methyl-1-phenylpyrazole1131-18-636 % similar

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

Elsewhere

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