[1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol

C16H19ClN2O2 — CID 165493173

IUPAC[1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol
SMILESOCc1c(C2CCOCC2)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C16H19ClN2O2/c17-16-14(11-20)15(13-6-8-21-9-7-13)18-19(16)10-12-4-2-1-3-5-12/h1-5,13,20H,6-11H2
InChIKeyJCFWVXGHMBAYJS-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.97
Rot. Bonds4

About [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol

[1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol (PubChem CID 165493173) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol
PubChem CID165493173
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name[1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol
SMILESOCc1c(C2CCOCC2)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C16H19ClN2O2/c17-16-14(11-20)15(13-6-8-21-9-7-13)18-19(16)10-12-4-2-1-3-5-12/h1-5,13,20H,6-11H2
InChIKeyJCFWVXGHMBAYJS-UHFFFAOYSA-N
XLogP2.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-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 [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol?
The IUPAC name of [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol (CID 165493173) is [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol is OCc1c(C2CCOCC2)nn(Cc2ccccc2)c1Cl.
What is the InChIKey of [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol?
The InChIKey is JCFWVXGHMBAYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-16-14(11-20)15(13-6-8-21-9-7-13)18-19(16)10-12-4-2-1-3-5-12/h1-5,13,20H,6-11H2.
What are the key properties of [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol?
[1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol has a molecular weight of 306.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 165493173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).