Basic information
- CAS
1192977-18-6- Standard SMILES
Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)c1cccc([N+](=O)[O-])c1)C(C)C- InChIKey
DPXVOFALBDZYSH-UHFFFAOYSA-N- Molecular formula
- C28H35FN6O3
- Average molar mass
- 522.6 g/mol
- Monoisotopic mass
- 522.27546716
Names & identifiers
- Preferred name
- N~1~-{[1-(3-fluorophenyl)-5-(4-isopropylpiperazino)-3-methyl-1H-pyrazol-4-yl]methyl}-N~1~-isopropyl-3-nitrobenzamide
- IUPAC
- N-[[1-(3-fluorophenyl)-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-3-nitro-N-propan-2-ylbenzamide
Names & synonyms
1192977-18-6N~1~-{[1-(3-fluorophenyl)-5-(4-isopropylpiperazino)-3-methyl-1H-pyrazol-4-yl]methyl}-N~1~-isopropyl-3-nitrobenzamideDTXSID201103532AKOS021872297N-[[1-(3-fluorophenyl)-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-3-nitro-N-propan-2-ylbenzamideN-({1-(3-fluorophenyl)-3-methyl-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl}methyl)-3-nitro-N-(propan-2-yl)benzamideN-[[1-(3-Fluorophenyl)-3-methyl-5-[4-(1-methylethyl)-1-piperazinyl]-1H-pyrazol-4-yl]methyl]-N-(1-methylethyl)-3-nitrobenzamide
Database identifiers
- CAS
1192977-18-6- PubChem CID
- 46080751
- DTXSID
DTXSID201103532
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 802
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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