Basic information
- CAS
68375-43-9- Standard SMILES
CNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]- InChIKey
VPVQEBWABVWGIJ-UHFFFAOYSA-N- Molecular formula
- C6H8N4O3
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.05964013
Names & identifiers
- Preferred name
- N,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
- IUPAC
- N,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Names & synonyms
N,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamideNSC23473068375-43-9SCHEMBL18320597DTXSID60310970NSC-234730
Database identifiers
- CAS
68375-43-9- PubChem CID
- 314822
- DTXSID
DTXSID60310970
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
LogP-0.23
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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