1H-Pyrazole-4-carbonitrile

C₄H₃N₃CAS 31108-57-393.09 g/mol

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Properties

Molecular formula: C₄H₃N₃
Molar mass: 93.09 g/mol
Exact mass: 93.0327 Da
logP: 0.28Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

31108-57-3

SMILES

C1=C(C=NN1)C#N

InChIKey

NUGZBVBZIDWZAD-UHFFFAOYSA-N

InChI

InChI=1S/C4H3N3/c5-1-4-2-6-7-3-4/h2-3H,(H,6,7)

Weigh it out

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

Names and synonyms

1 names

4-Cyanopyrazole

Work with 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-Cyanopyrimidine40805-79-648 % similar 1H-Pyrazole-4-methanol25222-43-943 % similar 1,4-Dicyanobenzene623-26-739 % similar 2-Bromo-5-cyanopyridine139585-70-939 % similar 1H-Indazole-5-carbonitrile74626-47-438 % similar [2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-538 % similar 4-Pyridazinecarbonitrile68776-62-538 % similar 4-Cyanopyridine100-48-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Cyanoimidazole36289-36-8 1H-Imidazole-5-carbonitrile57090-88-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook