5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole

C22H18N2 — CID 135065263

IUPAC5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole
SMILESCc1ccc(-c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)cc1
InChIInChI=1S/C22H18N2/c1-16-7-9-17(10-8-16)18-11-13-20(14-12-18)22-15-21(23-24-22)19-5-3-2-4-6-19/h2-15H,1H3,(H,23,24)
InChIKeyRSHSESYNOWVBEW-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.72
Rot. Bonds3

About 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole

5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole (PubChem CID 135065263) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole
PubChem CID135065263
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole
SMILESCc1ccc(-c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)cc1
InChIInChI=1S/C22H18N2/c1-16-7-9-17(10-8-16)18-11-13-20(14-12-18)22-15-21(23-24-22)19-5-3-2-4-6-19/h2-15H,1H3,(H,23,24)
InChIKeyRSHSESYNOWVBEW-UHFFFAOYSA-N
XLogP5.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-benzhydryl-1H-pyrazole
CID 2806015
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260
2-(3-methyl-1H-pyrazol-5-yl)aniline
CID 713168
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
Celecoxib N-des(benzenesulfonamide)
CID 4166967

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole?
The IUPAC name of 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole (CID 135065263) is 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole is Cc1ccc(-c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)cc1.
What is the InChIKey of 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole?
The InChIKey is RSHSESYNOWVBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-16-7-9-17(10-8-16)18-11-13-20(14-12-18)22-15-21(23-24-22)19-5-3-2-4-6-19/h2-15H,1H3,(H,23,24).
What are the key properties of 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole?
5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole has a molecular weight of 310.40 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole is sourced from PubChem (CID 135065263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).