N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C25H22N4O3S — CID 16603096

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C25H22N4O3S/c1-32-22-15-17(11-12-20(22)28-13-5-10-24(28)30)26-25(31)21-16-19(23-9-6-14-33-23)27-29(21)18-7-3-2-4-8-18/h2-4,6-9,11-12,14-16H,5,10,13H2,1H3,(H,26,31)
InChIKeyQFMGRYVABOHJKG-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.99
Rot. Bonds6

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 16603096) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID16603096
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C25H22N4O3S/c1-32-22-15-17(11-12-20(22)28-13-5-10-24(28)30)26-25(31)21-16-19(23-9-6-14-33-23)27-29(21)18-7-3-2-4-8-18/h2-4,6-9,11-12,14-16H,5,10,13H2,1H3,(H,26,31)
InChIKeyQFMGRYVABOHJKG-UHFFFAOYSA-N
XLogP4.99
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
dimethyl 5-[(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 16552895
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16557769
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 51317962
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 2580293
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 16603096) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is COc1cc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is QFMGRYVABOHJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-32-22-15-17(11-12-20(22)28-13-5-10-24(28)30)26-25(31)21-16-19(23-9-6-14-33-23)27-29(21)18-7-3-2-4-8-18/h2-4,6-9,11-12,14-16H,5,10,13H2,1H3,(H,26,31).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 16603096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).