3-(4-methoxyphenyl)-1-phenylpyrazole

C16H14N2O — CID 34179063

IUPAC3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2O/c1-19-15-9-7-13(8-10-15)16-11-12-18(17-16)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyARUQOLIYTLDNCL-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.55
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-phenylpyrazole

3-(4-methoxyphenyl)-1-phenylpyrazole (PubChem CID 34179063) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenylpyrazole
PubChem CID34179063
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2O/c1-19-15-9-7-13(8-10-15)16-11-12-18(17-16)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyARUQOLIYTLDNCL-UHFFFAOYSA-N
XLogP3.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenylpyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenylpyrazole (CID 34179063) is 3-(4-methoxyphenyl)-1-phenylpyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenylpyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenylpyrazole is COc1ccc(-c2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenylpyrazole?
The InChIKey is ARUQOLIYTLDNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-19-15-9-7-13(8-10-15)16-11-12-18(17-16)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-phenylpyrazole?
3-(4-methoxyphenyl)-1-phenylpyrazole has a molecular weight of 250.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenylpyrazole is sourced from PubChem (CID 34179063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).