5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile

C₁₁H₁₀N₄CAS 103646-82-8198.23 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₁₁H₁₀N₄
Molar mass: 198.23 g/mol
Exact mass: 198.0905 Da
logP: 1.63Crippen estimate
Polar surface area: 67.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
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 irritation50% of notifiers

Aggregated from 2 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

103646-82-8

SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N

InChIKey

MJQOLPWOOIMZDA-UHFFFAOYSA-N

InChI

InChI=1S/C11H10N4/c1-8-2-4-10(5-3-8)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3

Weigh it out

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Names and synonyms

1 names

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

Work with 5-Amino-1-(p-tolyl)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-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile51516-70-269 % similar 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile5394-41-260 % similar 5-Amino-1-methyl-1H-pyrazole-4-carbonitrile5334-41-851 % similar 2-Amino-4-methylbenzonitrile26830-96-641 % similar 2-Amino-5-methylbenzonitrile5925-93-941 % similar 4-Methylphthalonitrile63089-50-938 % similar 2-Cyano-4'-methylbiphenyl114772-53-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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