5-Methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride

C₁₁H₉ClN₂OCAS 205113-77-5220.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₉ClN₂O
Molar mass: 220.66 g/mol
Exact mass: 220.0403 Da
logP: 2.56Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

205113-77-5

SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)Cl

InChIKey

VWZLNKSEPOXZKV-UHFFFAOYSA-N

InChI

InChI=1S/C11H9ClN2O/c1-8-10(11(12)15)7-13-14(8)9-5-3-2-4-6-9/h2-7H,1H3

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Work with 5-Methyl-1-phenyl-1H-pyrazole-4-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

1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone6123-63-367 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-14-160 % similar 2-Methylbenzoyl chloride933-88-044 % similar Phthaloyl chloride88-95-943 % similar 1-Phenyl-5-propyl-1H-pyrazole-4-carboxylic acid116344-17-342 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-041 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-81-741 % similar 1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride175137-36-740 % similar

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

Same formula

5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde947-95-5

Elsewhere

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