3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole

C22H18N2O — CID 46861788

IUPAC3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccccc3-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C22H18N2O/c1-25-18-13-11-17(12-14-18)21-15-22(24-23-21)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
InChIKeyQGOVIRUCFQINTD-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.42
Rot. Bonds4

About 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole

3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole (PubChem CID 46861788) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
PubChem CID46861788
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccccc3-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C22H18N2O/c1-25-18-13-11-17(12-14-18)21-15-22(24-23-21)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
InChIKeyQGOVIRUCFQINTD-UHFFFAOYSA-N
XLogP5.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 764764
3-Amino-5-(4-methoxyphenyl)pyrazole
CID 2756469
3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
5-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 874817
5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
5-(6-methoxy-2-naphthyl)-1H-pyrazole
CID 2740829
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
2-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-5-methylphenol
CID 755039

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole (CID 46861788) is 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3ccccc3-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole?
The InChIKey is QGOVIRUCFQINTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-18-13-11-17(12-14-18)21-15-22(24-23-21)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24).
What are the key properties of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole?
3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole has a molecular weight of 326.40 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole is sourced from PubChem (CID 46861788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).