(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone

C11H16N2O2 — CID 107138570

IUPAC(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone
SMILESCc1nn(C)cc1C(=O)C1CCCOC1
InChIInChI=1S/C11H16N2O2/c1-8-10(6-13(2)12-8)11(14)9-4-3-5-15-7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyULSGQDMOTDFGNJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.34
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone

(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone (PubChem CID 107138570) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone
PubChem CID107138570
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone
SMILESCc1nn(C)cc1C(=O)C1CCCOC1
InChIInChI=1S/C11H16N2O2/c1-8-10(6-13(2)12-8)11(14)9-4-3-5-15-7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyULSGQDMOTDFGNJ-UHFFFAOYSA-N
XLogP1.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone 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 (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone (CID 107138570) is (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone is Cc1nn(C)cc1C(=O)C1CCCOC1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone?
The InChIKey is ULSGQDMOTDFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-10(6-13(2)12-8)11(14)9-4-3-5-15-7-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone?
(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107138570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).