1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride

C₆H₇ClN₂OCAS 55458-67-8158.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇ClN₂O
Molar mass: 158.58 g/mol
Exact mass: 158.0247 Da
logP: 1.11Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

55458-67-8

SMILES

CC1=NN(C(=C1)C(=O)Cl)C

InChIKey

ZIAPGUFDEJWQHC-UHFFFAOYSA-N

InChI

InChI=1S/C6H7ClN2O/c1-4-3-5(6(7)10)9(2)8-4/h3H,1-2H3

Weigh it out

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Names and synonyms

1 names

2,5-Dimethyl-2H-pyrazole-3-carbonyl chloride

Work with 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride

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-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride160842-62-661 % similar 1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-860 % similar 1,3-Dimethylpyrazole-5-carboxylic acid5744-56-960 % similar 1,3-Dimethyl-5-ethoxycarbonylpyrazole5744-40-153 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-347 % similar 5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-747 % similar 1,3,5-Trimethylpyrazole1072-91-945 % similar 2-Chloro-6-methylpyridine-4-carbonyl chloride26413-58-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde27006-76-4 3-Amino-6-chloro-5-methoxy pyridine75711-01-2

Elsewhere

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