5-methyl-1-(oxan-4-yloxymethyl)pyrazole

C10H16N2O2 — CID 130564425

IUPAC5-methyl-1-(oxan-4-yloxymethyl)pyrazole
SMILESCc1ccnn1COC1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-9-2-5-11-12(9)8-14-10-3-6-13-7-4-10/h2,5,10H,3-4,6-8H2,1H3
InChIKeyXNHSDCSOEYHTKX-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.34
Rot. Bonds3

About 5-methyl-1-(oxan-4-yloxymethyl)pyrazole

5-methyl-1-(oxan-4-yloxymethyl)pyrazole (PubChem CID 130564425) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-yloxymethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-yloxymethyl)pyrazole
PubChem CID130564425
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-methyl-1-(oxan-4-yloxymethyl)pyrazole
SMILESCc1ccnn1COC1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-9-2-5-11-12(9)8-14-10-3-6-13-7-4-10/h2,5,10H,3-4,6-8H2,1H3
InChIKeyXNHSDCSOEYHTKX-UHFFFAOYSA-N
XLogP1.34
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-(oxan-4-yloxymethyl)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 5-methyl-1-(oxan-4-yloxymethyl)pyrazole?
The IUPAC name of 5-methyl-1-(oxan-4-yloxymethyl)pyrazole (CID 130564425) is 5-methyl-1-(oxan-4-yloxymethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(oxan-4-yloxymethyl)pyrazole?
The canonical SMILES for 5-methyl-1-(oxan-4-yloxymethyl)pyrazole is Cc1ccnn1COC1CCOCC1.
What is the InChIKey of 5-methyl-1-(oxan-4-yloxymethyl)pyrazole?
The InChIKey is XNHSDCSOEYHTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-9-2-5-11-12(9)8-14-10-3-6-13-7-4-10/h2,5,10H,3-4,6-8H2,1H3.
What are the key properties of 5-methyl-1-(oxan-4-yloxymethyl)pyrazole?
5-methyl-1-(oxan-4-yloxymethyl)pyrazole has a molecular weight of 196.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-4-yloxymethyl)pyrazole is sourced from PubChem (CID 130564425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).