1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one

C13H22N2O — CID 82698096

IUPAC1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1c(CC)nn(C(C)C)c1CC
InChIInChI=1S/C13H22N2O/c1-6-10-13(12(16)8-3)11(7-2)15(14-10)9(4)5/h9H,6-8H2,1-5H3
InChIKeyLLVHBHWDGNAYON-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds5

About 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one

1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one (PubChem CID 82698096) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one
PubChem CID82698096
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1c(CC)nn(C(C)C)c1CC
InChIInChI=1S/C13H22N2O/c1-6-10-13(12(16)8-3)11(7-2)15(14-10)9(4)5/h9H,6-8H2,1-5H3
InChIKeyLLVHBHWDGNAYON-UHFFFAOYSA-N
XLogP3.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one 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-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one (CID 82698096) is 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one is CCC(=O)c1c(CC)nn(C(C)C)c1CC.
What is the InChIKey of 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one?
The InChIKey is LLVHBHWDGNAYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-6-10-13(12(16)8-3)11(7-2)15(14-10)9(4)5/h9H,6-8H2,1-5H3.
What are the key properties of 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one?
1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 82698096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).