N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide

C24H22N4O2S — CID 55784789

IUPACN-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)ccc1C
InChIInChI=1S/C24H22N4O2S/c1-16-10-11-19(13-21(16)25-17(2)29)26-24(30)20-15-28(14-18-7-4-3-5-8-18)27-23(20)22-9-6-12-31-22/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyKWDCQJVWLYLPHD-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.18
Rot. Bonds6

About N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 55784789) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID55784789
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)ccc1C
InChIInChI=1S/C24H22N4O2S/c1-16-10-11-19(13-21(16)25-17(2)29)26-24(30)20-15-28(14-18-7-4-3-5-8-18)27-23(20)22-9-6-12-31-22/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyKWDCQJVWLYLPHD-UHFFFAOYSA-N
XLogP5.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 60557678
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CID 24627856
1-benzyl-N-(3-nitrophenyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9040614
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56586324
1-benzyl-3-(4-chlorophenyl)-N-[2-methyl-5-(propanoylamino)phenyl]pyrazole-4-carboxamide
CID 55780324
1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 9326455
1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 9360117
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 55784789) is N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is CC(=O)Nc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is KWDCQJVWLYLPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-16-10-11-19(13-21(16)25-17(2)29)26-24(30)20-15-28(14-18-7-4-3-5-8-18)27-23(20)22-9-6-12-31-22/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55784789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).