5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole

C₆H₉ClN₂CAS 852227-86-2144.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₉ClN₂
Molar mass: 144.60 g/mol
Exact mass: 144.0454 Da
logP: 1.47Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

852227-86-2

SMILES

Cc1cc(CCl)n(C)n1

InChIKey

SGEZKPNUNBVVLB-UHFFFAOYSA-N

InChI

InChI=1S/C6H9ClN2/c1-5-3-6(4-7)9(2)8-5/h3H,4H2,1-2H3

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Names and synonyms

3 names

1H-Pyrazole, 5-(chloromethyl)-1,3-dimethyl-
5-(Chloromethyl)-1,3-dimethylpyrazole
5-Chloromethyl-1,3-dimethyl-1H-pyrazole

Work with 5-(Chloromethyl)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-352 % similar 5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-752 % similar 1,3,5-Trimethylpyrazole1072-91-950 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-147 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-534 % similar 1-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-132 % similar 2,4,6-Trimethylbenzyl chloride1585-16-632 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-432 % similar

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

Same formula

Phenylhydrazine hydrochloride59-88-1

Elsewhere

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