N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C25H24N4O3S — CID 24982538

IUPACN-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C25H24N4O3S/c1-3-28(17-24(30)26-18-11-13-20(32-2)14-12-18)25(31)22-16-21(23-10-7-15-33-23)27-29(22)19-8-5-4-6-9-19/h4-16H,3,17H2,1-2H3,(H,26,30)
InChIKeyJGZFSVSRFLCZPW-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.71
Rot. Bonds8

About N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 24982538) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID24982538
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C25H24N4O3S/c1-3-28(17-24(30)26-18-11-13-20(32-2)14-12-18)25(31)22-16-21(23-10-7-15-33-23)27-29(22)19-8-5-4-6-9-19/h4-16H,3,17H2,1-2H3,(H,26,30)
InChIKeyJGZFSVSRFLCZPW-UHFFFAOYSA-N
XLogP4.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 24982538) is N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is JGZFSVSRFLCZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-3-28(17-24(30)26-18-11-13-20(32-2)14-12-18)25(31)22-16-21(23-10-7-15-33-23)27-29(22)19-8-5-4-6-9-19/h4-16H,3,17H2,1-2H3,(H,26,30).
What are the key properties of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 24982538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).