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

C26H26N4O3S — CID 24980596

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C26H26N4O3S/c1-3-15-29(18-25(31)27-20-12-7-8-13-23(20)33-2)26(32)22-17-21(24-14-9-16-34-24)28-30(22)19-10-5-4-6-11-19/h4-14,16-17H,3,15,18H2,1-2H3,(H,27,31)
InChIKeyIELBEFQLDZBKIY-UHFFFAOYSA-N
MW474.59 g/mol
LogP5.10
Rot. Bonds9

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

N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 24980596) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID24980596
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C26H26N4O3S/c1-3-15-29(18-25(31)27-20-12-7-8-13-23(20)33-2)26(32)22-17-21(24-14-9-16-34-24)28-30(22)19-10-5-4-6-11-19/h4-14,16-17H,3,15,18H2,1-2H3,(H,27,31)
InChIKeyIELBEFQLDZBKIY-UHFFFAOYSA-N
XLogP5.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 24980596) is N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is IELBEFQLDZBKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-3-15-29(18-25(31)27-20-12-7-8-13-23(20)33-2)26(32)22-17-21(24-14-9-16-34-24)28-30(22)19-10-5-4-6-11-19/h4-14,16-17H,3,15,18H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 24980596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).