2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one

C11H16N2O — CID 81415447

IUPAC2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one
SMILESCCC1C(=O)CC1c1cnn(CC)c1
InChIInChI=1S/C11H16N2O/c1-3-9-10(5-11(9)14)8-6-12-13(4-2)7-8/h6-7,9-10H,3-5H2,1-2H3
InChIKeyJMADHNFAHPEEKR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.99
Rot. Bonds3

About 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one

2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one (PubChem CID 81415447) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one
PubChem CID81415447
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one
SMILESCCC1C(=O)CC1c1cnn(CC)c1
InChIInChI=1S/C11H16N2O/c1-3-9-10(5-11(9)14)8-6-12-13(4-2)7-8/h6-7,9-10H,3-5H2,1-2H3
InChIKeyJMADHNFAHPEEKR-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-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

2-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
CID 62595255
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole
CID 103570829
4-(1-ethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 103570687
(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 124681117
2-(1-ethylpyrazol-4-yl)-N-methylcyclopentan-1-amine
CID 62603685
[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012445
2-(1-ethylpyrazol-4-yl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 155434033
5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 103570764
4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine
CID 81014852
N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81017767
3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane
CID 130575204

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one?
The IUPAC name of 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one (CID 81415447) is 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one.
What is the SMILES notation for 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one?
The canonical SMILES for 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one is CCC1C(=O)CC1c1cnn(CC)c1.
What is the InChIKey of 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one?
The InChIKey is JMADHNFAHPEEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-9-10(5-11(9)14)8-6-12-13(4-2)7-8/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one?
2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one is sourced from PubChem (CID 81415447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).