3-methyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
Basic information
- CAS
34326-52-8- Standard SMILES
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)C1- InChIKey
AZTNKGFJYVATPK-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Overview
See other relationships...
Names & identifiers
- Preferred name
- 3-methyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
- IUPAC
- 5-methyl-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
- English name
- 3-methyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
- Molecular formula
- C16H15N3O2
- Molecular weight
- 281.31
Names & synonyms
3-methyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole34326-52-85-methyl-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazoleOprea1_749424MLS000709424F1284-0144CHEMBL1506275DTXSID00389160HMS2698B14STK096453AKOS000484775AKOS016352051
Show more names
1H-Pyrazole, 4,5-dihydro-3-methyl-1-(4-nitrophenyl)-5-phenyl-
SMR000290091EU-0069197ST45031526AG-205/327030093-methyl-1-(4-nitrophenyl)-5-phenyl-2-pyrazolineZ568019481-{4-nitrophenyl}-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole
Database identifiers
- CAS
34326-52-8- PubChem CID
- 3095685
- DTXSID
DTXSID00389160- ChEMBL
CHEMBL1506275
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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