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

C24H22N4O3S — CID 16546563

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C24H22N4O3S/c1-27(16-22(29)25-17-10-12-19(31-2)13-11-17)24(30)20-15-28(18-7-4-3-5-8-18)26-23(20)21-9-6-14-32-21/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyYZWFVSVHBKLWBU-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.32
Rot. Bonds7

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

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 16546563) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID16546563
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C24H22N4O3S/c1-27(16-22(29)25-17-10-12-19(31-2)13-11-17)24(30)20-15-28(18-7-4-3-5-8-18)26-23(20)21-9-6-14-32-21/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyYZWFVSVHBKLWBU-UHFFFAOYSA-N
XLogP4.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 2529435
N-(4-methoxyphenyl)-2-[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetamide
CID 1088994
3-[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1-(2-thienyl)-2-propen-1-one
CID 5739268
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17476423
3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 17536973
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24687809
(E)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 24979840
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24980011
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24980596
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24981609
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 25162147
(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 25162651

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 16546563) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is YZWFVSVHBKLWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-27(16-22(29)25-17-10-12-19(31-2)13-11-17)24(30)20-15-28(18-7-4-3-5-8-18)26-23(20)21-9-6-14-32-21/h3-15H,16H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 16546563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).