1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone

C12H18N2O — CID 105459511

IUPAC1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone
SMILESCCn1nc(C(C)=O)cc1C1CCCC1
InChIInChI=1S/C12H18N2O/c1-3-14-12(10-6-4-5-7-10)8-11(13-14)9(2)15/h8,10H,3-7H2,1-2H3
InChIKeyYILOCBVKRRFWNY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.76
Rot. Bonds3

About 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone

1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone (PubChem CID 105459511) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone
PubChem CID105459511
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone
SMILESCCn1nc(C(C)=O)cc1C1CCCC1
InChIInChI=1S/C12H18N2O/c1-3-14-12(10-6-4-5-7-10)8-11(13-14)9(2)15/h8,10H,3-7H2,1-2H3
InChIKeyYILOCBVKRRFWNY-UHFFFAOYSA-N
XLogP2.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid
CID 105479284
1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanamine
CID 105461050
ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate
CID 167875578
1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine
CID 105461054
1-(4-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethanone
CID 20744113
4-(diethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476081
5-amino-N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 117215420
1-(5-cyclohexyl-1,2-oxazol-3-yl)ethanone
CID 115094361
(5-amino-1-ethylpyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 122171469
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
2-ethyl-N-(2-hydroxycyclohexyl)-N,5-dimethylpyrazole-3-carboxamide
CID 102634205
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone (CID 105459511) is 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone is CCn1nc(C(C)=O)cc1C1CCCC1.
What is the InChIKey of 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone?
The InChIKey is YILOCBVKRRFWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14-12(10-6-4-5-7-10)8-11(13-14)9(2)15/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone?
1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 105459511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).