1-(2-Hydroxyethyl)-3-nitro-4-pyrazolecarboxamide
Basic information
- CAS
39205-83-9- Standard SMILES
NC(=O)c1cn(CCO)nc1[N+](=O)[O-]- InChIKey
LOIDMDPCSBUPCZ-UHFFFAOYSA-N- Molecular formula
- C6H8N4O4
- Average molar mass
- 200.15 g/mol
- Monoisotopic mass
- 200.05455475
Overview
active against both gram-positive & gram-negative bacteria; structure
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethyl)-3-nitro-4-pyrazolecarboxamide
- IUPAC
- 1-(2-hydroxyethyl)-3-nitropyrazole-4-carboxamide
Names & synonyms
39205-83-91-(2-Hydroxyethyl)-3-nitro-4-pyrazolecarboxamide729P9SQE0C1H-Pyrazole-4-carboxamide, 1-(2-hydroxyethyl)-3-nitro-NSC-271261DTXSID00192459RefChem:74180DTXCID601149501-(2-hydroxyethyl)-3-nitro-1H-pyrazole-4-carboxamideNSC271261NSC 2712611-(2-hydroxyethyl)-3-nitropyrazole-4-carboxamide
Show more names
BRN 0652771UNII-729P9SQE0C1-(2-hydroxyethyl)-3-nitro-pyrazole-4-carboxamide5-25-04-00061 (Beilstein Handbook Reference)4-Pyrazolecarboxamide, 1-(2-hydroxyethyl)-3-nitro-SCHEMBL11473382Q272660591-(2-HYDROXYETHYL)-3-NITRO-4-CARBOXAMIDOPYRAZOLE
Database identifiers
- CAS
39205-83-9- PubChem CID
- 100244
- DTXSID
DTXSID00192459- UNII
- 729P9SQE0C
- Nikkaji
- J446.444C
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
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Related reactions
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Compound notes
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