[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol

C17H16N2O — CID 752098

IUPAC[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1
InChIInChI=1S/C17H16N2O/c1-13-7-9-14(10-8-13)17-15(12-20)11-19(18-17)16-5-3-2-4-6-16/h2-11,20H,12H2,1H3
InChIKeySAUYEUZHDZKNKX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.34
Rot. Bonds3

About [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol

[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 752098) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol
PubChem CID752098
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1
InChIInChI=1S/C17H16N2O/c1-13-7-9-14(10-8-13)17-15(12-20)11-19(18-17)16-5-3-2-4-6-16/h2-11,20H,12H2,1H3
InChIKeySAUYEUZHDZKNKX-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol (CID 752098) is [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol is Cc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is SAUYEUZHDZKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-7-9-14(10-8-13)17-15(12-20)11-19(18-17)16-5-3-2-4-6-16/h2-11,20H,12H2,1H3.
What are the key properties of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol?
[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 264.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 752098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).