N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide

C26H19N3O3 — CID 2140158

IUPACN-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C26H19N3O3/c1-17(30)18-11-13-20(14-12-18)27-26(31)22-16-29(21-8-3-2-4-9-21)28-25(22)24-15-19-7-5-6-10-23(19)32-24/h2-16H,1H3,(H,27,31)
InChIKeyKPCGLBSXJBJYPF-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.74
Rot. Bonds5

About N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide

N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2140158) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID2140158
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC NameN-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C26H19N3O3/c1-17(30)18-11-13-20(14-12-18)27-26(31)22-16-29(21-8-3-2-4-9-21)28-25(22)24-15-19-7-5-6-10-23(19)32-24/h2-16H,1H3,(H,27,31)
InChIKeyKPCGLBSXJBJYPF-UHFFFAOYSA-N
XLogP5.74
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid;hydrochloride
CID 2951335
N-(4-acetylphenyl)-3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide
CID 2398116
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
N-(4-acetylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 1287887
N-(4-acetylphenyl)-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 1288195
N-(4-carbamoyl-3-methylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56518331
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448
4-[[3-(3-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287582

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide (CID 2140158) is N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is KPCGLBSXJBJYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3/c1-17(30)18-11-13-20(14-12-18)27-26(31)22-16-29(21-8-3-2-4-9-21)28-25(22)24-15-19-7-5-6-10-23(19)32-24/h2-16H,1H3,(H,27,31).
What are the key properties of N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide?
N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2140158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).