Basic information
- CAS
75876-13-0- Standard SMILES
CNCCCCCc1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1- InChIKey
MIVRYZSBXPUURG-UHFFFAOYSA-N- Molecular formula
- C15H20N4O2
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.15862589
Names & identifiers
- Preferred name
- N-methyl-5-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]pentan-1-amine
- IUPAC
- N-methyl-5-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]pentan-1-amine
Names & synonyms
NSC27748975876-13-0N-methyl-5-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]pentan-1-amineDTXSID60313800NSC-277489DS-0030051H-pyrazole-3-pentanamine,n-methyl-5-(4-nitrophenyl)-
Database identifiers
- CAS
75876-13-0- PubChem CID
- 322002
- DTXSID
DTXSID60313800
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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