3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride

C₉H₁₃ClN₂OCAS 160842-62-6200.67 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₉H₁₃ClN₂O
Molar mass: 200.67 g/mol
Exact mass: 200.0716 Da
logP: 2.10Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

160842-62-6

SMILES

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

InChIKey

SJGURXGUNLVMAQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H13ClN2O/c1-9(2,3)7-5-6(8(10)13)12(4)11-7/h5H,1-4H3

Weigh it out

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

Work with 3-(tert-Butyl)-1-methyl-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-carboxylic acid175277-11-962 % similar 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride55458-67-861 % similar 3-(1,1-Dimethylethyl)-1-methyl-1H-pyrazol-5-amine118430-73-249 % similar 4-tert-Butylbenzoyl chloride1710-98-138 % similar 1-Methyl-1H-pyrrole-2-carbonyl chloride26214-68-638 % similar 5-(tert-Butyl)-2-methylfuran-3-carbonyl chloride96543-75-836 % similar 1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-835 % similar 1,3-Dimethylpyrazole-5-carboxylic acid5744-56-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethoxybenzamidine hydrochloride18637-00-8 Phenylalanine amide hydrochloride65864-22-4 H-D-Phe-nh2 hcl71666-94-9

Elsewhere

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