1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one

C16H22N4OS — CID 75471403

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one
SMILESCc1cc(N2CCC(NC(C)c3sccc3C)C2=O)n(C)n1
InChIInChI=1S/C16H22N4OS/c1-10-6-8-22-15(10)12(3)17-13-5-7-20(16(13)21)14-9-11(2)18-19(14)4/h6,8-9,12-13,17H,5,7H2,1-4H3
InChIKeyGIDFKTZUALRMEP-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.55
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one (PubChem CID 75471403) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one
PubChem CID75471403
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one
SMILESCc1cc(N2CCC(NC(C)c3sccc3C)C2=O)n(C)n1
InChIInChI=1S/C16H22N4OS/c1-10-6-8-22-15(10)12(3)17-13-5-7-20(16(13)21)14-9-11(2)18-19(14)4/h6,8-9,12-13,17H,5,7H2,1-4H3
InChIKeyGIDFKTZUALRMEP-UHFFFAOYSA-N
XLogP2.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one (CID 75471403) is 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one is Cc1cc(N2CCC(NC(C)c3sccc3C)C2=O)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one?
The InChIKey is GIDFKTZUALRMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-6-8-22-15(10)12(3)17-13-5-7-20(16(13)21)14-9-11(2)18-19(14)4/h6,8-9,12-13,17H,5,7H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one has a molecular weight of 318.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 75471403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).