1-(1-methyl-3-propylpyrazol-5-yl)ethanone

C9H14N2O — CID 58815494

IUPAC1-(1-methyl-3-propylpyrazol-5-yl)ethanone
SMILESCCCc1cc(C(C)=O)n(C)n1
InChIInChI=1S/C9H14N2O/c1-4-5-8-6-9(7(2)12)11(3)10-8/h6H,4-5H2,1-3H3
InChIKeyWGXRCQGHCXPRRT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.58
Rot. Bonds3

About 1-(1-methyl-3-propylpyrazol-5-yl)ethanone

1-(1-methyl-3-propylpyrazol-5-yl)ethanone (PubChem CID 58815494) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(1-methyl-3-propylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-3-propylpyrazol-5-yl)ethanone
PubChem CID58815494
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(1-methyl-3-propylpyrazol-5-yl)ethanone
SMILESCCCc1cc(C(C)=O)n(C)n1
InChIInChI=1S/C9H14N2O/c1-4-5-8-6-9(7(2)12)11(3)10-8/h6H,4-5H2,1-3H3
InChIKeyWGXRCQGHCXPRRT-UHFFFAOYSA-N
XLogP1.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methyl-3-propylpyrazol-5-yl)ethanone 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-(1-methyl-3-propylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(1-methyl-3-propylpyrazol-5-yl)ethanone (CID 58815494) is 1-(1-methyl-3-propylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-3-propylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methyl-3-propylpyrazol-5-yl)ethanone is CCCc1cc(C(C)=O)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propylpyrazol-5-yl)ethanone?
The InChIKey is WGXRCQGHCXPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-8-6-9(7(2)12)11(3)10-8/h6H,4-5H2,1-3H3.
What are the key properties of 1-(1-methyl-3-propylpyrazol-5-yl)ethanone?
1-(1-methyl-3-propylpyrazol-5-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propylpyrazol-5-yl)ethanone is sourced from PubChem (CID 58815494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).