3-(4-Methoxyphenyl)-5-(4-nitrophenyl)-1-phenyl-2-pyrazoline
Basic information
- CAS
19268-77-0- Standard SMILES
COc1ccc(C2=NN(c3ccccc3)C(c3ccc([N+](=O)[O-])cc3)C2)cc1- InChIKey
GPDOBHQWMHONBO-UHFFFAOYSA-N- Molecular formula
- C22H19N3O3
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.14264148
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-5-(4-nitrophenyl)-1-phenyl-2-pyrazoline
- IUPAC
- 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
Names & synonyms
SCHEMBL10657175GPDOBHQWMHONBO-UHFFFAOYSA-N3-(4-Methoxyphenyl)-5-(4-nitrophenyl)-1-phenyl-2-pyrazolineDTXSID50115328119268-77-03-(4-methoxyphenyl)-5-(4-nitrophenyl)-1 -phenyl-2-pyrazoline3-(4-Methoxyphenyl)-5-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole4,5-Dihydro-3-(4-methoxyphenyl)-5-(4-nitrophenyl)-1-phenyl-1H-pyrazole
Database identifiers
- CAS
19268-77-0- PubChem CID
- 4436503
- DTXSID
DTXSID501153281
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 554
Related reactions
4 records
Compound notes
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