N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide

C26H24N4O2 — CID 18204910

IUPACN-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N4O2/c1-18-8-10-21(11-9-18)25-24(17-30(29-25)16-20-6-4-3-5-7-20)26(32)28-23-14-12-22(13-15-23)27-19(2)31/h3-15,17H,16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyIEVKCOBPSOKNDF-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.12
Rot. Bonds6

About N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide

N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 18204910) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID18204910
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N4O2/c1-18-8-10-21(11-9-18)25-24(17-30(29-25)16-20-6-4-3-5-7-20)26(32)28-23-14-12-22(13-15-23)27-19(2)31/h3-15,17H,16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyIEVKCOBPSOKNDF-UHFFFAOYSA-N
XLogP5.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18225401
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 25478247
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
methyl 3-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-4-methylbenzoate
CID 18288690

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 18204910) is N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is IEVKCOBPSOKNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-18-8-10-21(11-9-18)25-24(17-30(29-25)16-20-6-4-3-5-7-20)26(32)28-23-14-12-22(13-15-23)27-19(2)31/h3-15,17H,16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide?
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18204910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).