1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole

C13H20N2O2 — CID 121273777

IUPAC1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole
SMILESc1nn(C2CCCCO2)cc1C1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-2-6-17-13(3-1)15-10-12(9-14-15)11-4-7-16-8-5-11/h9-11,13H,1-8H2
InChIKeyGBSBRGSIHDUNOR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.48
Rot. Bonds2

About 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole

1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole (PubChem CID 121273777) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole
PubChem CID121273777
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole
SMILESc1nn(C2CCCCO2)cc1C1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-2-6-17-13(3-1)15-10-12(9-14-15)11-4-7-16-8-5-11/h9-11,13H,1-8H2
InChIKeyGBSBRGSIHDUNOR-UHFFFAOYSA-N
XLogP2.48
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-2-yl)-4-(oxan-4-yl)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 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole?
The IUPAC name of 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole (CID 121273777) is 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole.
What is the SMILES notation for 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole?
The canonical SMILES for 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole is c1nn(C2CCCCO2)cc1C1CCOCC1.
What is the InChIKey of 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole?
The InChIKey is GBSBRGSIHDUNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-6-17-13(3-1)15-10-12(9-14-15)11-4-7-16-8-5-11/h9-11,13H,1-8H2.
What are the key properties of 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole?
1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole has a molecular weight of 236.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-4-(oxan-4-yl)pyrazole is sourced from PubChem (CID 121273777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).