3-(4-Chlorophenyl)-1H-pyrazole

C₉H₇ClN₂CAS 59843-58-2178.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇ClN₂
Molar mass: 178.62 g/mol
Exact mass: 178.0298 Da
logP: 2.73Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed93.2% of notifiers
H318 Causes serious eye damage91.8% of notifiers

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

59843-58-2

SMILES

C1=CC(=CC=C1C2=CC=NN2)Cl

InChIKey

HLCXWJKNVWWWOF-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

3-(4-Chlorophenyl)pyrazole

Work with 3-(4-Chlorophenyl)-1H-pyrazole

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-(4-Fluorophenyl)-1H-pyrazole154258-82-959 % similar 3-(4-Bromophenyl)-1H-pyrazole73387-46-959 % similar 3-(4-Nitrophenyl)-1H-pyrazole20583-31-749 % similar 4-(1H-Pyrazol-5-yl)benzoic acid208511-67-549 % similar 3-(4-Chlorophenyl)-1H-pyrazol-5-amine78583-81-047 % similar 3-(1H-Pyrazol-3-yl)pyridine45887-08-947 % similar 4,4′-Dichlorobiphenyl2050-68-246 % similar 3-(2H-Pyrazol-3-yl)benzonitrile149739-51-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-7-chloroquinoline1198-40-9 1-(2-Chlorophenyl)imidazole51581-50-1 5-Isoquinolinamine,3-chloro-(9ci)58142-49-7 4-Chloro-2-methylquinazoline6484-24-8

Elsewhere

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