1-(4-Nitrophenyl)-3,5-diphenylpyrazole

HCID 680475
NotesReactions

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Basic information

CAS
10252-51-4
Standard SMILES
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIKey
PXCMBYXFVRQYSH-UHFFFAOYSA-N
Molecular formula
C21H15N3O2
Average molar mass
341.4 g/mol
Monoisotopic mass
341.11642672

Names & identifiers

Preferred name
1-(4-Nitrophenyl)-3,5-diphenylpyrazole
IUPAC
1-(4-nitrophenyl)-3,5-diphenylpyrazole

Names & synonyms

10252-51-41-(4-nitrophenyl)-3,5-diphenyl-1H-pyrazoleCHEMBL4778371-(4-nitrophenyl)-3,5-diphenylpyrazole1H-Pyrazole, 1-(4-nitrophenyl)-3,5-diphenyl-SCHEMBL3447083DTXSID00350476PXCMBYXFVRQYSH-UHFFFAOYSA-NBDBM502666821-(p-nitrophenyl)-3,5-diphenylpyrazole

Database identifiers

CAS
10252-51-4
PubChem CID
680475
DTXSID
DTXSID00350476
ChEMBL
CHEMBL477837

Properties

Computed structural propertiesFilling in

XLogP
5
Topological polar surface area
63.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
26

Related reactions

1 records
New reaction record

Compound notes

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