ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole

C14H26N2O — CID 145363929

IUPACethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole
SMILESCC.Cc1nn(CC2CCOCC2)c(C)c1C
InChIInChI=1S/C12H20N2O.C2H6/c1-9-10(2)13-14(11(9)3)8-12-4-6-15-7-5-12;1-2/h12H,4-8H2,1-3H3;1-2H3
InChIKeyGMSIZGAZULFQOP-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.26
Rot. Bonds2

About ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole

ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole (PubChem CID 145363929) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole.

Molecular Properties

Compound Nameethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole
PubChem CID145363929
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Nameethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole
SMILESCC.Cc1nn(CC2CCOCC2)c(C)c1C
InChIInChI=1S/C12H20N2O.C2H6/c1-9-10(2)13-14(11(9)3)8-12-4-6-15-7-5-12;1-2/h12H,4-8H2,1-3H3;1-2H3
InChIKeyGMSIZGAZULFQOP-UHFFFAOYSA-N
XLogP3.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;3,4,5-trimethyl-1-(oxan-4-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 ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole?
The IUPAC name of ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole (CID 145363929) is ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole.
What is the SMILES notation for ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole?
The canonical SMILES for ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole is CC.Cc1nn(CC2CCOCC2)c(C)c1C.
What is the InChIKey of ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole?
The InChIKey is GMSIZGAZULFQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.C2H6/c1-9-10(2)13-14(11(9)3)8-12-4-6-15-7-5-12;1-2/h12H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole?
ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole has a molecular weight of 238.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole is sourced from PubChem (CID 145363929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).