2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol

C11H11ClN2O — CID 14568868

IUPAC2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C11H11ClN2O/c12-9-3-1-8(2-4-9)11-7-10(5-6-15)13-14-11/h1-4,7,15H,5-6H2,(H,13,14)
InChIKeyUAVBGCPRTAKZGZ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.26
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol (PubChem CID 14568868) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol
PubChem CID14568868
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C11H11ClN2O/c12-9-3-1-8(2-4-9)11-7-10(5-6-15)13-14-11/h1-4,7,15H,5-6H2,(H,13,14)
InChIKeyUAVBGCPRTAKZGZ-UHFFFAOYSA-N
XLogP2.26
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol 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 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol (CID 14568868) is 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol is OCCc1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol?
The InChIKey is UAVBGCPRTAKZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-9-3-1-8(2-4-9)11-7-10(5-6-15)13-14-11/h1-4,7,15H,5-6H2,(H,13,14).
What are the key properties of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol?
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol has a molecular weight of 222.68 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 14568868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).