N-(2H-Pyrazol-3-YL)formamide

HCID 328397

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Basic information

CAS: 3816-85-1
Standard SMILES: O=CNc1ccn[nH]1
InChIKey: REWYPKAXVAFTLU-UHFFFAOYSA-N
Molecular formula: C4H5N3O
Average molar mass: 111.1 g/mol
Monoisotopic mass: 111.04326179

Names & identifiers

Preferred name: N-(2H-Pyrazol-3-YL)formamide
IUPAC: N-(1H-pyrazol-5-yl)formamide

Names & synonyms

N-(2H-PYRAZOL-3-YL)FORMAMIDE3816-85-1N-(1H-pyrazol-5-yl)formamideN-(1H-Pyrazol-3-yl)formamideNSC306773SCHEMBL44841SCHEMBL44842SCHEMBL922919SCHEMBL2003550DTXSID00316779AKOS011962646NSC-306773

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DS-001796

Database identifiers

CAS: 3816-85-1
PubChem CID: 328397
DTXSID: DTXSID00316779

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 85.4

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