N-methyl-3-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]propan-1-amine
Basic information
- CAS
75876-02-7- Standard SMILES
CNCCCc1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1- InChIKey
UJASTMQVTFAXNB-UHFFFAOYSA-N- Molecular formula
- C13H16N4O2
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.12732577
Names & identifiers
- Preferred name
- N-methyl-3-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]propan-1-amine
- IUPAC
- N-methyl-3-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]propan-1-amine
Names & synonyms
NSC27748175876-02-7N-methyl-3-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]propan-1-amineDTXSID70313795NSC-277481DS-002451N-methyl-3-[5-(4-nitrophenyl)-2h-pyrazol-3-yl]propan-1-amine
Database identifiers
- CAS
75876-02-7- PubChem CID
- 321994
- DTXSID
DTXSID70313795
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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