Basic information
- CAS
1005629-20-8- Standard SMILES
Cc1nn(C)c(C)c1NC(=O)c1nn(C)cc1[N+](=O)[O-]- InChIKey
OFTCJBBWDDDCFQ-UHFFFAOYSA-N- Molecular formula
- C11H14N6O3
- Average molar mass
- 278.27 g/mol
- Monoisotopic mass
- 278.11273833
Names & identifiers
- Preferred name
- 1-methyl-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
- IUPAC
- 1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
Names & synonyms
1-methyl-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamideOprea1_548062DTXSID101137691STK304435AKOS0037478421005629-20-8
Database identifiers
- CAS
1005629-20-8- PubChem CID
- 4771383
- DTXSID
DTXSID101137691
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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