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

C₆H₉ClN₂CAS 180519-09-9144.60 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

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

180519-09-9

SMILES

CC1=CC(=NN1C)CCl

InChIKey

BXDLNPSUWNWPNY-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-(Chloromethyl)-1,5-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

(1,5-Dimethyl-1H-pyrazol-3-yl)methanol153912-60-861 % similar (1,5-Dimethyl-1H-pyrazol-3-yl)methanamine423768-52-961 % similar 1,3,5-Trimethylpyrazole1072-91-950 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-239 % similar Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate5744-51-438 % similar 3-(Chloromethyl)-5-methyl-1,2-oxazole35166-37-137 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-334 % similar 5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-734 % similar

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

Same formula

Phenylhydrazine hydrochloride59-88-1 5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole852227-86-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook