2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol

C13H16N2O2 — CID 56716387

IUPAC2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cnn(CCO)c2)c(C)c1
InChIInChI=1S/C13H16N2O2/c1-10-7-12(17-2)3-4-13(10)11-8-14-15(9-11)5-6-16/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyVNYXLIVLMQEVRD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.86
Rot. Bonds4

About 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol

2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol (PubChem CID 56716387) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol
PubChem CID56716387
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cnn(CCO)c2)c(C)c1
InChIInChI=1S/C13H16N2O2/c1-10-7-12(17-2)3-4-13(10)11-8-14-15(9-11)5-6-16/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyVNYXLIVLMQEVRD-UHFFFAOYSA-N
XLogP1.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-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-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol (CID 56716387) is 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol is COc1ccc(-c2cnn(CCO)c2)c(C)c1.
What is the InChIKey of 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol?
The InChIKey is VNYXLIVLMQEVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-7-12(17-2)3-4-13(10)11-8-14-15(9-11)5-6-16/h3-4,7-9,16H,5-6H2,1-2H3.
What are the key properties of 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol?
2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol has a molecular weight of 232.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 56716387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).