1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol

C11H12N2O2 — CID 155544554

IUPAC1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H12N2O2/c14-7-11(15)10-6-9(12-13-10)8-4-2-1-3-5-8/h1-6,11,14-15H,7H2,(H,12,13)
InChIKeyKHIPOIWGSPGOET-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.10
Rot. Bonds3

About 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol

1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol (PubChem CID 155544554) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
PubChem CID155544554
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H12N2O2/c14-7-11(15)10-6-9(12-13-10)8-4-2-1-3-5-8/h1-6,11,14-15H,7H2,(H,12,13)
InChIKeyKHIPOIWGSPGOET-UHFFFAOYSA-N
XLogP1.10
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol 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-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol (CID 155544554) is 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol is OCC(O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol?
The InChIKey is KHIPOIWGSPGOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-7-11(15)10-6-9(12-13-10)8-4-2-1-3-5-8/h1-6,11,14-15H,7H2,(H,12,13).
What are the key properties of 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol?
1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol has a molecular weight of 204.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 155544554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).