Basic information
- CAS
139756-18-6- Standard SMILES
CCCc1nn(CC)c(C(N)=O)c1[N+](=O)[O-]- InChIKey
ABZSPGKMASSWJJ-UHFFFAOYSA-N- Molecular formula
- C9H14N4O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.10659032
Names & identifiers
- Preferred name
- 1-Ethyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide
- IUPAC
- 1-ethyl-4-nitro-3-propylpyrazole-5-carboxamide
Names & synonyms
139756-18-61-Ethyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamideSCHEMBL1295DTXSID70705555
Database identifiers
- CAS
139756-18-6- PubChem CID
- 53634883
- DTXSID
DTXSID70705555
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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