1-Methyl-1H-pyrazole-3-sulfonyl chloride

C₄H₅ClN₂O₂SCAS 89501-90-6180.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅ClN₂O₂S
Molar mass: 180.61 g/mol
Exact mass: 179.9760 Da
logP: 0.35Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

89501-90-6

SMILES

CN1C=CC(=N1)S(=O)(=O)Cl

InChIKey

TWLAHGNFQBQYEL-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClN2O2S/c1-7-3-2-4(6-7)10(5,8)9/h2-3H,1H3

Weigh it out

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

Work with 1-Methyl-1H-pyrazole-3-sulfonyl 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

1,2-Dimethyl-1H-imidazole-4-sulfonyl chloride137049-02-642 % similar 1H-Pyrazole,3-bromo-1-methyl-(9ci)151049-87-541 % similar 1,3-Dimethylpyrazole694-48-441 % similar Pyridine-2-sulfonyl chloride66715-65-940 % similar 1-Methyl-1H-pyrazol-3-amine1904-31-039 % similar 3-Iodo-1-methyl-1H-pyrazole92525-10-539 % similar 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-037 % similar 1-Methyl-3-(trifluoromethyl)-1H-pyrazole154471-65-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1H-imidazole-4-sulfonyl chloride137049-00-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook