N,1-diethyl-4-nitro-1H-pyrazole-5-carboxamide

HCID 19476557

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Basic information

CAS: 1245771-62-3
Standard SMILES: CCNC(=O)c1c([N+](=O)[O-])cnn1CC
InChIKey: UDDXRHIWSTXYPB-UHFFFAOYSA-N
Molecular formula: C8H12N4O3
Average molar mass: 212.21 g/mol
Monoisotopic mass: 212.09094026

Names & identifiers

Preferred name: N,1-diethyl-4-nitro-1H-pyrazole-5-carboxamide
IUPAC: N,1-diethyl-4-nitropyrazole-5-carboxamide

Names & synonyms

N,1-diethyl-4-nitro-1H-pyrazole-5-carboxamide1245771-62-3N-ethyl(1-ethyl-4-nitropyrazol-5-yl)carboxamideDTXSID301251607MFCD18262335SBB073541STL414965AKOS005169481N,2-diethyl-4-nitropyrazole-3-carboxamideCS-0338336N,2-diethyl-4-nitro-pyrazole-3-carboxamideST45255759

Database identifiers

CAS: 1245771-62-3
PubChem CID: 19476557
DTXSID: DTXSID301251607

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 92.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 253

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