1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one

C11H14N2O — CID 105100746

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one
SMILESC#CCCC(=O)c1cc(CC)nn1C
InChIInChI=1S/C11H14N2O/c1-4-6-7-11(14)10-8-9(5-2)12-13(10)3/h1,8H,5-7H2,2-3H3
InChIKeyZOCICWUCIBOLBM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one

1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one (PubChem CID 105100746) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one
PubChem CID105100746
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one
SMILESC#CCCC(=O)c1cc(CC)nn1C
InChIInChI=1S/C11H14N2O/c1-4-6-7-11(14)10-8-9(5-2)12-13(10)3/h1,8H,5-7H2,2-3H3
InChIKeyZOCICWUCIBOLBM-UHFFFAOYSA-N
XLogP1.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-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

Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)octan-1-one
CID 105086496
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023801
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800
tert-butyl 3-ethyl-1-methylpyrazole-5-carboxylate
CID 66120943
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
1-(3-ethyl-1-methylpyrazol-4-yl)pent-4-yn-1-one
CID 102811725
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one (CID 105100746) is 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one is C#CCCC(=O)c1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one?
The InChIKey is ZOCICWUCIBOLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-6-7-11(14)10-8-9(5-2)12-13(10)3/h1,8H,5-7H2,2-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one?
1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one is sourced from PubChem (CID 105100746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).