chempirical

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

C9H13ClN2OCAS 160842-62-6200.67 g/mol

Open in Covalent MOL file
NNOCl
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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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-(1,1-Dimethylethyl)-1-methyl-1H-pyrazol-5-amine118430-73-249 % similar 4-tert-Butylbenzoyl chloride1710-98-138 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-034 % similar Trimesoyl chloride4422-95-132 % similar 3,5-Dimethylbenzoyl chloride6613-44-131 % similar 7-Chloro-2-(1,1-dimethylethyl)-5-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine175203-38-031 % similar 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine126208-61-530 % similar 5-Methyl-3-isoxazolecarbonyl chloride39499-34-830 % similar

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

Same formula

2-Ethoxybenzamidine hydrochloride18637-00-8

Elsewhere

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