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

C22H18N2O — CID 46888112

IUPAC3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2-c2ccccc2)[nH]n1
InChIInChI=1S/C22H18N2O/c1-25-22-14-8-7-13-19(22)21-15-20(23-24-21)18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,24)
InChIKeyOUTDBDVQNGUBDB-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.42
Rot. Bonds4

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

3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole (PubChem CID 46888112) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
PubChem CID46888112
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2-c2ccccc2)[nH]n1
InChIInChI=1S/C22H18N2O/c1-25-22-14-8-7-13-19(22)21-15-20(23-24-21)18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,24)
InChIKeyOUTDBDVQNGUBDB-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole (CID 46888112) is 3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole is COc1ccccc1-c1cc(-c2ccccc2-c2ccccc2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole?
The InChIKey is OUTDBDVQNGUBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-22-14-8-7-13-19(22)21-15-20(23-24-21)18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,24).
What are the key properties of 3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole?
3-(2-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-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole is sourced from PubChem (CID 46888112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).