4-ethyl-1-(oxolan-3-ylmethyl)pyrazole

C10H16N2O — CID 139390372

IUPAC4-ethyl-1-(oxolan-3-ylmethyl)pyrazole
SMILESCCc1cnn(CC2CCOC2)c1
InChIInChI=1S/C10H16N2O/c1-2-9-5-11-12(6-9)7-10-3-4-13-8-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyVLADHRUKUAIODT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.48
Rot. Bonds3

About 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole

4-ethyl-1-(oxolan-3-ylmethyl)pyrazole (PubChem CID 139390372) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-ethyl-1-(oxolan-3-ylmethyl)pyrazole
PubChem CID139390372
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-ethyl-1-(oxolan-3-ylmethyl)pyrazole
SMILESCCc1cnn(CC2CCOC2)c1
InChIInChI=1S/C10H16N2O/c1-2-9-5-11-12(6-9)7-10-3-4-13-8-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyVLADHRUKUAIODT-UHFFFAOYSA-N
XLogP1.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole 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 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole?
The IUPAC name of 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole (CID 139390372) is 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole.
What is the SMILES notation for 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole?
The canonical SMILES for 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole is CCc1cnn(CC2CCOC2)c1.
What is the InChIKey of 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole?
The InChIKey is VLADHRUKUAIODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-9-5-11-12(6-9)7-10-3-4-13-8-10/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole?
4-ethyl-1-(oxolan-3-ylmethyl)pyrazole has a molecular weight of 180.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(oxolan-3-ylmethyl)pyrazole is sourced from PubChem (CID 139390372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).