1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one

C13H22N2O — CID 114980926

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
SMILESCCc1cc(CC(=O)C(C)(C)CC)n(C)n1
InChIInChI=1S/C13H22N2O/c1-6-10-8-11(15(5)14-10)9-12(16)13(3,4)7-2/h8H,6-7,9H2,1-5H3
InChIKeyGPBRGIUTRBKNNP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.53
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one

1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one (PubChem CID 114980926) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
PubChem CID114980926
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
SMILESCCc1cc(CC(=O)C(C)(C)CC)n(C)n1
InChIInChI=1S/C13H22N2O/c1-6-10-8-11(15(5)14-10)9-12(16)13(3,4)7-2/h8H,6-7,9H2,1-5H3
InChIKeyGPBRGIUTRBKNNP-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-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

4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573647
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methylbutanoic acid
CID 79801800
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109961
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588612
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473
5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116571684
4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
CID 116566741
1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 79066115
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847846
1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109982

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one (CID 114980926) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one is CCc1cc(CC(=O)C(C)(C)CC)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one?
The InChIKey is GPBRGIUTRBKNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-6-10-8-11(15(5)14-10)9-12(16)13(3,4)7-2/h8H,6-7,9H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one?
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.53, 5 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)-3,3-dimethylpentan-2-one is sourced from PubChem (CID 114980926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).