ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole

C13H24N2O2 — CID 143578588

IUPACethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole
SMILESCC.Cc1cnn(CCOC2CCCCO2)c1
InChIInChI=1S/C11H18N2O2.C2H6/c1-10-8-12-13(9-10)5-7-15-11-4-2-3-6-14-11;1-2/h8-9,11H,2-7H2,1H3;1-2H3
InChIKeyYFGVLKZOQMKVKH-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.76
Rot. Bonds4

About ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole

ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole (PubChem CID 143578588) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole.

Molecular Properties

Compound Nameethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole
PubChem CID143578588
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole
SMILESCC.Cc1cnn(CCOC2CCCCO2)c1
InChIInChI=1S/C11H18N2O2.C2H6/c1-10-8-12-13(9-10)5-7-15-11-4-2-3-6-14-11;1-2/h8-9,11H,2-7H2,1H3;1-2H3
InChIKeyYFGVLKZOQMKVKH-UHFFFAOYSA-N
XLogP2.76
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]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 ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole?
The IUPAC name of ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole (CID 143578588) is ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole.
What is the SMILES notation for ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole?
The canonical SMILES for ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole is CC.Cc1cnn(CCOC2CCCCO2)c1.
What is the InChIKey of ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole?
The InChIKey is YFGVLKZOQMKVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.C2H6/c1-10-8-12-13(9-10)5-7-15-11-4-2-3-6-14-11;1-2/h8-9,11H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole?
ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole has a molecular weight of 240.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole is sourced from PubChem (CID 143578588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).