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

C17H16N2O — CID 3859567

IUPAC[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N2O/c1-13-7-9-16(10-8-13)19-11-15(12-20)17(18-19)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3
InChIKeyIXGOWCOSYJKTFT-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.34
Rot. Bonds3

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

[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol (PubChem CID 3859567) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol
PubChem CID3859567
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N2O/c1-13-7-9-16(10-8-13)19-11-15(12-20)17(18-19)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3
InChIKeyIXGOWCOSYJKTFT-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 [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol (CID 3859567) is [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol is Cc1ccc(-n2cc(CO)c(-c3ccccc3)n2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol?
The InChIKey is IXGOWCOSYJKTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-7-9-16(10-8-13)19-11-15(12-20)17(18-19)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3.
What are the key properties of [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol?
[1-(4-methylphenyl)-3-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 [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 3859567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).