5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole

C11H17ClN2O — CID 164658469

IUPAC5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole
SMILESCCc1nn(C2CCOCC2)c(Cl)c1C
InChIInChI=1S/C11H17ClN2O/c1-3-10-8(2)11(12)14(13-10)9-4-6-15-7-5-9/h9H,3-7H2,1-2H3
InChIKeyKDAJZDOEUCYWOU-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.76
Rot. Bonds2

About 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole

5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole (PubChem CID 164658469) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole
PubChem CID164658469
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole
SMILESCCc1nn(C2CCOCC2)c(Cl)c1C
InChIInChI=1S/C11H17ClN2O/c1-3-10-8(2)11(12)14(13-10)9-4-6-15-7-5-9/h9H,3-7H2,1-2H3
InChIKeyKDAJZDOEUCYWOU-UHFFFAOYSA-N
XLogP2.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-ethyl-4-methyl-1-(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 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole?
The IUPAC name of 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole (CID 164658469) is 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole is CCc1nn(C2CCOCC2)c(Cl)c1C.
What is the InChIKey of 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole?
The InChIKey is KDAJZDOEUCYWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-10-8(2)11(12)14(13-10)9-4-6-15-7-5-9/h9H,3-7H2,1-2H3.
What are the key properties of 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole?
5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole has a molecular weight of 228.72 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 164658469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).