5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

C₁₀H₇FN₄CAS 51516-70-2202.19 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₁₀H₇FN₄
Molar mass: 202.19 g/mol
Exact mass: 202.0655 Da
logP: 1.47Crippen estimate
Polar surface area: 67.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

51516-70-2

SMILES

N#Cc1cnn(-c2ccc(F)cc2)c1N

InChIKey

SZEJYPAPBGNEMH-UHFFFAOYSA-N

InChI

InChI=1S/C10H7FN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2

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Names and synonyms

1 names

1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-fluorophenyl)-

Work with 5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

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

5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile5334-43-072 % similar 5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile103646-82-869 % similar 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile5394-41-260 % similar 5-Amino-1-methyl-1H-pyrazole-4-carbonitrile5334-41-848 % similar Ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate138907-68-344 % similar 2-Amino-5-fluorobenzonitrile61272-77-341 % similar 4-Fluoro-1,2-benzenedicarbonitrile65610-14-238 % similar 4-Fluorobenzonitrile1194-02-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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