5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile

C₁₀H₈N₄CAS 5334-43-0184.20 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₁₀H₈N₄
Molar mass: 184.20 g/mol
Exact mass: 184.0749 Da
Melting point: 140 °C
logP: 1.33Crippen estimate
Polar surface area: 67.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5334-43-0

SMILES

N#Cc1cnn(-c2ccccc2)c1N

InChIKey

MAKQREKUUHPPIS-UHFFFAOYSA-N

InChI

InChI=1S/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2

Weigh it out

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

Names and synonyms

9 names

1H-Pyrazole-4-carbonitrile, 5-amino-1-phenyl-
Pyrazole-4-carbonitrile, 5-amino-1-phenyl-
5-Amino-4-cyano-1-phenylpyrazole
5-Amino-1-phenyl-4-pyrazolecarbonitrile
MB 3670
M And B 36701
NSC 1414
1-Phenyl-4-cyano-5-aminopyrazole
5-Amino-4-cyano-1-phenyl-1H-pyrazole

Work with 5-Amino-1-phenyl-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-(p-tolyl)pyrazole-4-carbonitrile103646-82-872 % similar 5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile51516-70-272 % similar 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile5394-41-262 % similar 5-Amino-1-methyl-1H-pyrazole-4-carbonitrile5334-41-853 % similar 5-Amino-1-phenyl-4-pyrazolecarboxamide50427-77-549 % similar 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile7152-40-145 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-042 % similar 4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine5334-30-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile112809-25-3 1,2-Di(pyridin-4-yl)diazene2632-99-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook