3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

C18H23ClN4O — CID 91650703

IUPAC3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(NCC(C)c3cccc(Cl)c3)C2=O)n(C)n1
InChIInChI=1S/C18H23ClN4O/c1-12(14-5-4-6-15(19)10-14)11-20-16-7-8-23(18(16)24)17-9-13(2)21-22(17)3/h4-6,9-10,12,16,20H,7-8,11H2,1-3H3
InChIKeyODWZEEZHKXXFOL-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.88
Rot. Bonds5

About 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 91650703) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID91650703
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(NCC(C)c3cccc(Cl)c3)C2=O)n(C)n1
InChIInChI=1S/C18H23ClN4O/c1-12(14-5-4-6-15(19)10-14)11-20-16-7-8-23(18(16)24)17-9-13(2)21-22(17)3/h4-6,9-10,12,16,20H,7-8,11H2,1-3H3
InChIKeyODWZEEZHKXXFOL-UHFFFAOYSA-N
XLogP2.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(2-phenylpropylamino)pyrrolidin-2-one
CID 119127757
(8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 99824859
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one
CID 99639548
(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]pyrrolidin-2-one
CID 97102108
1-(2,5-dimethylpyrazol-3-yl)-3-[1-(oxolan-2-yl)ethylamino]pyrrolidin-2-one
CID 75504218
2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]-6-fluorobenzonitrile
CID 133325659
1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one
CID 126803055
4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide
CID 100649210
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one
CID 97102091
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide
CID 129470991
N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide
CID 99817535

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (CID 91650703) is 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is Cc1cc(N2CCC(NCC(C)c3cccc(Cl)c3)C2=O)n(C)n1.
What is the InChIKey of 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is ODWZEEZHKXXFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-12(14-5-4-6-15(19)10-14)11-20-16-7-8-23(18(16)24)17-9-13(2)21-22(17)3/h4-6,9-10,12,16,20H,7-8,11H2,1-3H3.
What are the key properties of 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 346.86 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)propylamino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 91650703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).