N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C25H24N4O2S — CID 24687329

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1
InChIInChI=1S/C25H24N4O2S/c1-17-11-12-18(2)20(14-17)26-24(30)16-28(3)25(31)22-15-21(23-10-7-13-32-23)27-29(22)19-8-5-4-6-9-19/h4-15H,16H2,1-3H3,(H,26,30)
InChIKeyBZCXOAJEGPLZHY-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.93
Rot. Bonds6

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 24687329) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID24687329
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1
InChIInChI=1S/C25H24N4O2S/c1-17-11-12-18(2)20(14-17)26-24(30)16-28(3)25(31)22-15-21(23-10-7-13-32-23)27-29(22)19-8-5-4-6-9-19/h4-15H,16H2,1-3H3,(H,26,30)
InChIKeyBZCXOAJEGPLZHY-UHFFFAOYSA-N
XLogP4.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 24687329) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is BZCXOAJEGPLZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-17-11-12-18(2)20(14-17)26-24(30)16-28(3)25(31)22-15-21(23-10-7-13-32-23)27-29(22)19-8-5-4-6-9-19/h4-15H,16H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 24687329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).