3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole

C15H24N2O3 — CID 175107816

IUPAC3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole
SMILESCC1(C)OC(c2cc(C3CCCCO3)n[nH]2)OC1(C)C
InChIInChI=1S/C15H24N2O3/c1-14(2)15(3,4)20-13(19-14)11-9-10(16-17-11)12-7-5-6-8-18-12/h9,12-13H,5-8H2,1-4H3,(H,16,17)
InChIKeyUYZITZZFFCXREQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.25
Rot. Bonds2

About 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole

3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole (PubChem CID 175107816) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole
PubChem CID175107816
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole
SMILESCC1(C)OC(c2cc(C3CCCCO3)n[nH]2)OC1(C)C
InChIInChI=1S/C15H24N2O3/c1-14(2)15(3,4)20-13(19-14)11-9-10(16-17-11)12-7-5-6-8-18-12/h9,12-13H,5-8H2,1-4H3,(H,16,17)
InChIKeyUYZITZZFFCXREQ-UHFFFAOYSA-N
XLogP3.25
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-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 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole?
The IUPAC name of 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole (CID 175107816) is 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole.
What is the SMILES notation for 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole?
The canonical SMILES for 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole is CC1(C)OC(c2cc(C3CCCCO3)n[nH]2)OC1(C)C.
What is the InChIKey of 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole?
The InChIKey is UYZITZZFFCXREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-14(2)15(3,4)20-13(19-14)11-9-10(16-17-11)12-7-5-6-8-18-12/h9,12-13H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole?
3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole has a molecular weight of 280.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 175107816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).