5-(4-nitrophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
Basic information
- CAS
15115-37-4- Standard SMILES
O=[N+]([O-])c1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1- InChIKey
OISCBHHURZLAMT-UHFFFAOYSA-N- Molecular formula
- C21H17N3O2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.13207679
Overview
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Names & identifiers
- Preferred name
- 5-(4-nitrophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
- IUPAC
- 3-(4-nitrophenyl)-2,5-diphenyl-3,4-dihydropyrazole
- English name
- 5-(4-Nitro-phenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
- Molecular formula
- C21H17N3O2
- Molecular weight
- 343.38
Names & synonyms
5-(4-nitrophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole15115-37-43-(4-nitrophenyl)-2,5-diphenyl-3,4-dihydropyrazoleCHEMBL3309796NSC409744DTXSID20325348BDBM50045437AKOS024331551NSC-4097445-(4-Nitro-phenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole1H-Pyrazole, 4,5-dihydro-5-(4-nitrophenyl)-1,3-diphenyl-
Database identifiers
- CAS
15115-37-4- PubChem CID
- 349864
- DTXSID
DTXSID20325348- ChEMBL
CHEMBL3309796- Nikkaji
- J1.834.526I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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