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

C11H9ClN2OCAS 205113-77-5220.66 g/mol

Open in Covalent MOL file
NNOCl
Acyl halide

Properties

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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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
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

Weigh it out

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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 5-Methyl-1-phenylpyrazole-4-carboxylic acid91138-00-065 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-14-160 % similar 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-19-645 % similar 5-Amino-1-phenyl-4-pyrazolecarboxamide50427-77-544 % similar 2-Methylbenzoyl chloride933-88-044 % similar Phthaloyl chloride88-95-943 % similar 1-Phenyl-5-propyl-1H-pyrazole-4-carboxylic acid116344-17-342 % 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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