4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

C18H16N4O2S — CID 60551651

IUPAC4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16N4O2S/c23-17-4-1-9-22(17)13-7-5-12(6-8-13)18(24)19-16-11-14(20-21-16)15-3-2-10-25-15/h2-3,5-8,10-11H,1,4,9H2,(H2,19,20,21,24)
InChIKeyHOICNLVGOAZUTB-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.52
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 60551651) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID60551651
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16N4O2S/c23-17-4-1-9-22(17)13-7-5-12(6-8-13)18(24)19-16-11-14(20-21-16)15-3-2-10-25-15/h2-3,5-8,10-11H,1,4,9H2,(H2,19,20,21,24)
InChIKeyHOICNLVGOAZUTB-UHFFFAOYSA-N
XLogP3.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-nitro-4-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719477
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9265979
3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 60551671
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 60551556
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719497
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47343912
N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78901118
(2R)-6-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 125136030
2-butyl-1,3-dioxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)isoindole-5-carboxamide
CID 52719410
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide
CID 55977487

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (CID 60551651) is 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is HOICNLVGOAZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c23-17-4-1-9-22(17)13-7-5-12(6-8-13)18(24)19-16-11-14(20-21-16)15-3-2-10-25-15/h2-3,5-8,10-11H,1,4,9H2,(H2,19,20,21,24).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 352.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 60551651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).