5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole

C21H18N2 — CID 23583181

IUPAC5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
SMILESc1ccc(-c2ccc(C3=NNC(c4ccccc4)C3)cc2)cc1
InChIInChI=1S/C21H18N2/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(22-23-21)18-9-5-2-6-10-18/h1-14,20,22H,15H2
InChIKeyKXIBITNVZKITGB-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.79
Rot. Bonds3

About 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole

5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 23583181) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID23583181
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
SMILESc1ccc(-c2ccc(C3=NNC(c4ccccc4)C3)cc2)cc1
InChIInChI=1S/C21H18N2/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(22-23-21)18-9-5-2-6-10-18/h1-14,20,22H,15H2
InChIKeyKXIBITNVZKITGB-UHFFFAOYSA-N
XLogP4.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole (CID 23583181) is 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole is c1ccc(-c2ccc(C3=NNC(c4ccccc4)C3)cc2)cc1.
What is the InChIKey of 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is KXIBITNVZKITGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(22-23-21)18-9-5-2-6-10-18/h1-14,20,22H,15H2.
What are the key properties of 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 298.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 23583181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).