1-(3-methoxyphenyl)-3-phenylpyrazole

C16H14N2O — CID 54518922

IUPAC1-(3-methoxyphenyl)-3-phenylpyrazole
SMILESCOc1cccc(-n2ccc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H14N2O/c1-19-15-9-5-8-14(12-15)18-11-10-16(17-18)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyYOJMLLKABKDSSA-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.55
Rot. Bonds3

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

1-(3-methoxyphenyl)-3-phenylpyrazole (PubChem CID 54518922) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-phenylpyrazole
PubChem CID54518922
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(3-methoxyphenyl)-3-phenylpyrazole
SMILESCOc1cccc(-n2ccc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H14N2O/c1-19-15-9-5-8-14(12-15)18-11-10-16(17-18)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyYOJMLLKABKDSSA-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 1-(3-methoxyphenyl)-3-phenylpyrazole?
The IUPAC name of 1-(3-methoxyphenyl)-3-phenylpyrazole (CID 54518922) is 1-(3-methoxyphenyl)-3-phenylpyrazole.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-phenylpyrazole?
The canonical SMILES for 1-(3-methoxyphenyl)-3-phenylpyrazole is COc1cccc(-n2ccc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-phenylpyrazole?
The InChIKey is YOJMLLKABKDSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-19-15-9-5-8-14(12-15)18-11-10-16(17-18)13-6-3-2-4-7-13/h2-12H,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-phenylpyrazole?
1-(3-methoxyphenyl)-3-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 1-(3-methoxyphenyl)-3-phenylpyrazole is sourced from PubChem (CID 54518922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).