3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one

C11H14N2O2 — CID 114556737

IUPAC3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one
SMILESCCn1nccc1C(=O)C1CCC(=O)C1
InChIInChI=1S/C11H14N2O2/c1-2-13-10(5-6-12-13)11(15)8-3-4-9(14)7-8/h5-6,8H,2-4,7H2,1H3
InChIKeyZGHXIYVEYKEABG-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.45
Rot. Bonds3

About 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one

3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one (PubChem CID 114556737) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one
PubChem CID114556737
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one
SMILESCCn1nccc1C(=O)C1CCC(=O)C1
InChIInChI=1S/C11H14N2O2/c1-2-13-10(5-6-12-13)11(15)8-3-4-9(14)7-8/h5-6,8H,2-4,7H2,1H3
InChIKeyZGHXIYVEYKEABG-UHFFFAOYSA-N
XLogP1.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1,4-dithian-2-yl)-(2-ethylpyrazol-3-yl)methanone
CID 115385881
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695
3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
CID 114972285
(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 65424270
(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
CID 114972401
(2-ethylpyrazol-3-yl)-morpholin-3-ylmethanone
CID 116576217
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
(1R,9S)-5-(cyclopropylmethyl)-12-(2-ethylpyrazole-3-carbonyl)-3,5,6,12-tetrazatricyclo[7.2.1.03,7]dodec-6-en-4-one
CID 171152311
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
3-(4-methylbenzoyl)cyclopentan-1-one
CID 79639548
1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone
CID 103986189
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one?
The IUPAC name of 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one (CID 114556737) is 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one?
The canonical SMILES for 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one is CCn1nccc1C(=O)C1CCC(=O)C1.
What is the InChIKey of 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one?
The InChIKey is ZGHXIYVEYKEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-13-10(5-6-12-13)11(15)8-3-4-9(14)7-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one?
3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one has a molecular weight of 206.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one is sourced from PubChem (CID 114556737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).