2-(1-ethylpyrazol-4-yl)ethanol

C7H12N2O — CID 62596877

IUPAC2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CCO)cn1
InChIInChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3
InChIKeyGQXSHPZGPIOSHQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.44
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)ethanol

2-(1-ethylpyrazol-4-yl)ethanol (PubChem CID 62596877) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)ethanol
PubChem CID62596877
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CCO)cn1
InChIInChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3
InChIKeyGQXSHPZGPIOSHQ-UHFFFAOYSA-N
XLogP0.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethylpyrazol-4-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-(1-ethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)ethanol (CID 62596877) is 2-(1-ethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)ethanol is CCn1cc(CCO)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)ethanol?
The InChIKey is GQXSHPZGPIOSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)ethanol?
2-(1-ethylpyrazol-4-yl)ethanol has a molecular weight of 140.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 62596877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).