4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one

C12H18N4O — CID 168701206

IUPAC4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccnn2C2CCCC2)C1
InChIInChI=1S/C12H18N4O/c13-9-7-12(17)15(8-9)11-5-6-14-16(11)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8,13H2
InChIKeyIXDOXMRKPRFBLY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.06
Rot. Bonds2

About 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one

4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 168701206) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID168701206
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccnn2C2CCCC2)C1
InChIInChI=1S/C12H18N4O/c13-9-7-12(17)15(8-9)11-5-6-14-16(11)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8,13H2
InChIKeyIXDOXMRKPRFBLY-UHFFFAOYSA-N
XLogP1.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 72716151
4-amino-1-(4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 43521184
4-(aminomethyl)-1-(2-cyclopentyl-5-methylpyrazol-3-yl)pyrrolidin-2-one
CID 168660077
2-cyclopentylpyrazole-3-sulfonyl chloride
CID 50896655
4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one
CID 43521189
4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168699821
4-amino-1-cyclopentylpiperidin-2-one
CID 83636323
5-chloro-1-cycloheptylpyrazole
CID 83241860
2-(thian-3-yl)pyrazol-3-amine
CID 62872187
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614
4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one
CID 168700637
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one (CID 168701206) is 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one is NC1CC(=O)N(c2ccnn2C2CCCC2)C1.
What is the InChIKey of 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is IXDOXMRKPRFBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-9-7-12(17)15(8-9)11-5-6-14-16(11)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8,13H2.
What are the key properties of 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one?
4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-cyclopentylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168701206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).