2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone

C14H21N3O — CID 116568445

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)C1CCNC1
InChIInChI=1S/C14H21N3O/c18-14(11-5-7-15-10-11)9-12-6-8-17(16-12)13-3-1-2-4-13/h6,8,11,13,15H,1-5,7,9-10H2
InChIKeyFBQSJXYBISUAJS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.72
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone

2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone (PubChem CID 116568445) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone
PubChem CID116568445
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)C1CCNC1
InChIInChI=1S/C14H21N3O/c18-14(11-5-7-15-10-11)9-12-6-8-17(16-12)13-3-1-2-4-13/h6,8,11,13,15H,1-5,7,9-10H2
InChIKeyFBQSJXYBISUAJS-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone
CID 116548098
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569543
1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 64783422
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977374
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpyrrolidin-3-amine
CID 64784435
1-(azetidin-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116583711
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone (CID 116568445) is 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone is O=C(Cc1ccn(C2CCCC2)n1)C1CCNC1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone?
The InChIKey is FBQSJXYBISUAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(11-5-7-15-10-11)9-12-6-8-17(16-12)13-3-1-2-4-13/h6,8,11,13,15H,1-5,7,9-10H2.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone?
2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone has a molecular weight of 247.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116568445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).