Basic information
- Standard SMILES
Cn1ncc([N+](=O)[O-])c1NC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
DCBMRWOMWMYGSL-UHFFFAOYSA-N- Molecular formula
- C14H23N5O4
- Average molar mass
- 325.36 g/mol
- Monoisotopic mass
- 325.17500423
Names & identifiers
- Preferred name
- tert-butyl 4-(1-methyl-4-nitro-1H-pyrazol-5-ylamino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(1-methyl-4-nitropyrazol-5-yl)amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2522504DCBMRWOMWMYGSL-UHFFFAOYSA-Ntert-butyl 4-(1-methyl-4-nitro-1H-pyrazol-5-ylamino)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 67438046
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 439
Related reactions
3 records
Compound notes
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