3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole

C13H22N2O — CID 91533931

IUPAC3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole
SMILESCCCc1c(C)nn(C2CCCOC2)c1C
InChIInChI=1S/C13H22N2O/c1-4-6-13-10(2)14-15(11(13)3)12-7-5-8-16-9-12/h12H,4-9H2,1-3H3
InChIKeyAOWONACFHSLGFP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.80
Rot. Bonds3

About 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole

3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole (PubChem CID 91533931) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole
PubChem CID91533931
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole
SMILESCCCc1c(C)nn(C2CCCOC2)c1C
InChIInChI=1S/C13H22N2O/c1-4-6-13-10(2)14-15(11(13)3)12-7-5-8-16-9-12/h12H,4-9H2,1-3H3
InChIKeyAOWONACFHSLGFP-UHFFFAOYSA-N
XLogP2.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole 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 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole?
The IUPAC name of 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole (CID 91533931) is 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole is CCCc1c(C)nn(C2CCCOC2)c1C.
What is the InChIKey of 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole?
The InChIKey is AOWONACFHSLGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-13-10(2)14-15(11(13)3)12-7-5-8-16-9-12/h12H,4-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole?
3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole has a molecular weight of 222.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(oxan-3-yl)-4-propylpyrazole is sourced from PubChem (CID 91533931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).