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

C22H20N2 — CID 24882538

IUPAC5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1
InChIInChI=1S/C22H20N2/c1-16-7-9-19(10-8-16)21-15-22(24-23-21)20-13-11-18(12-14-20)17-5-3-2-4-6-17/h2-14,21,23H,15H2,1H3
InChIKeyPMLZZDFKZFUXGL-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.10
Rot. Bonds3

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

5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 24882538) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID24882538
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1
InChIInChI=1S/C22H20N2/c1-16-7-9-19(10-8-16)21-15-22(24-23-21)20-13-11-18(12-14-20)17-5-3-2-4-6-17/h2-14,21,23H,15H2,1H3
InChIKeyPMLZZDFKZFUXGL-UHFFFAOYSA-N
XLogP5.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole (CID 24882538) is 5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole is Cc1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is PMLZZDFKZFUXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-16-7-9-19(10-8-16)21-15-22(24-23-21)20-13-11-18(12-14-20)17-5-3-2-4-6-17/h2-14,21,23H,15H2,1H3.
What are the key properties of 5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 312.42 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 24882538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).