[5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol

C18H17ClN2O — CID 150757764

IUPAC[5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol
SMILESOCc1cc(Cc2ccccc2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C18H17ClN2O/c19-18-9-5-4-8-15(18)12-21-17(11-16(13-22)20-21)10-14-6-2-1-3-7-14/h1-9,11,22H,10,12-13H2
InChIKeyJXFAQRUTSHHAJB-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.67
Rot. Bonds5

About [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol

[5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol (PubChem CID 150757764) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol
PubChem CID150757764
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name[5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol
SMILESOCc1cc(Cc2ccccc2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C18H17ClN2O/c19-18-9-5-4-8-15(18)12-21-17(11-16(13-22)20-21)10-14-6-2-1-3-7-14/h1-9,11,22H,10,12-13H2
InChIKeyJXFAQRUTSHHAJB-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol?
The IUPAC name of [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol (CID 150757764) is [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol?
The canonical SMILES for [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol is OCc1cc(Cc2ccccc2)n(Cc2ccccc2Cl)n1.
What is the InChIKey of [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol?
The InChIKey is JXFAQRUTSHHAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-18-9-5-4-8-15(18)12-21-17(11-16(13-22)20-21)10-14-6-2-1-3-7-14/h1-9,11,22H,10,12-13H2.
What are the key properties of [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol?
[5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol has a molecular weight of 312.80 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 150757764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).