[2-(1-benzylpyrazol-4-yl)phenyl]methanol

C17H16N2O — CID 56707801

IUPAC[2-(1-benzylpyrazol-4-yl)phenyl]methanol
SMILESOCc1ccccc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O/c20-13-15-8-4-5-9-17(15)16-10-18-19(12-16)11-14-6-2-1-3-7-14/h1-10,12,20H,11,13H2
InChIKeyWOSDRQLTVILKLG-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.09
Rot. Bonds4

About [2-(1-benzylpyrazol-4-yl)phenyl]methanol

[2-(1-benzylpyrazol-4-yl)phenyl]methanol (PubChem CID 56707801) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-(1-benzylpyrazol-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(1-benzylpyrazol-4-yl)phenyl]methanol
PubChem CID56707801
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[2-(1-benzylpyrazol-4-yl)phenyl]methanol
SMILESOCc1ccccc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O/c20-13-15-8-4-5-9-17(15)16-10-18-19(12-16)11-14-6-2-1-3-7-14/h1-10,12,20H,11,13H2
InChIKeyWOSDRQLTVILKLG-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylpyrazol-4-yl)phenyl]methanol?
The IUPAC name of [2-(1-benzylpyrazol-4-yl)phenyl]methanol (CID 56707801) is [2-(1-benzylpyrazol-4-yl)phenyl]methanol.
What is the SMILES notation for [2-(1-benzylpyrazol-4-yl)phenyl]methanol?
The canonical SMILES for [2-(1-benzylpyrazol-4-yl)phenyl]methanol is OCc1ccccc1-c1cnn(Cc2ccccc2)c1.
What is the InChIKey of [2-(1-benzylpyrazol-4-yl)phenyl]methanol?
The InChIKey is WOSDRQLTVILKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-13-15-8-4-5-9-17(15)16-10-18-19(12-16)11-14-6-2-1-3-7-14/h1-10,12,20H,11,13H2.
What are the key properties of [2-(1-benzylpyrazol-4-yl)phenyl]methanol?
[2-(1-benzylpyrazol-4-yl)phenyl]methanol has a molecular weight of 264.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylpyrazol-4-yl)phenyl]methanol is sourced from PubChem (CID 56707801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).