N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide

C25H22N4O3 — CID 42282110

IUPACN-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H22N4O3/c1-17(30)26-19-13-14-23(32-2)22(15-19)27-25(31)21-16-29(20-11-7-4-8-12-20)28-24(21)18-9-5-3-6-10-18/h3-16H,1-2H3,(H,26,30)(H,27,31)
InChIKeyWPUHRVUXHNUNSM-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.76
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 42282110) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID42282110
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H22N4O3/c1-17(30)26-19-13-14-23(32-2)22(15-19)27-25(31)21-16-29(20-11-7-4-8-12-20)28-24(21)18-9-5-3-6-10-18/h3-16H,1-2H3,(H,26,30)(H,27,31)
InChIKeyWPUHRVUXHNUNSM-UHFFFAOYSA-N
XLogP4.76
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
N-(5-acetamido-2-fluorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55551214
N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 26210602
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 56580220
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904364
N-(2-methoxy-5-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 7778291
3-(3,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26715981
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
CID 26101953

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 42282110) is N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is WPUHRVUXHNUNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17(30)26-19-13-14-23(32-2)22(15-19)27-25(31)21-16-29(20-11-7-4-8-12-20)28-24(21)18-9-5-3-6-10-18/h3-16H,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 42282110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).