2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol

C15H24N2O5 — CID 143009440

IUPAC2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
SMILESCc1c(OC2CC(O)CC(CO)O2)nn(C2CCOC2)c1C
InChIInChI=1S/C15H24N2O5/c1-9-10(2)17(11-3-4-20-8-11)16-15(9)22-14-6-12(19)5-13(7-18)21-14/h11-14,18-19H,3-8H2,1-2H3
InChIKeyKABIMGUDIYSHHE-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.70
Rot. Bonds4

About 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol

2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol (PubChem CID 143009440) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
PubChem CID143009440
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
SMILESCc1c(OC2CC(O)CC(CO)O2)nn(C2CCOC2)c1C
InChIInChI=1S/C15H24N2O5/c1-9-10(2)17(11-3-4-20-8-11)16-15(9)22-14-6-12(19)5-13(7-18)21-14/h11-14,18-19H,3-8H2,1-2H3
InChIKeyKABIMGUDIYSHHE-UHFFFAOYSA-N
XLogP0.70
TPSA85.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol 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-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol (CID 143009440) is 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol is Cc1c(OC2CC(O)CC(CO)O2)nn(C2CCOC2)c1C.
What is the InChIKey of 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is KABIMGUDIYSHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-9-10(2)17(11-3-4-20-8-11)16-15(9)22-14-6-12(19)5-13(7-18)21-14/h11-14,18-19H,3-8H2,1-2H3.
What are the key properties of 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol?
2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 312.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 143009440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).