N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide

C20H20N4O3 — CID 2036050

IUPACN-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1
InChIInChI=1S/C20H20N4O3/c1-11-4-9-16(19(26)12(11)2)17-10-18(24-23-17)20(27)22-15-7-5-14(6-8-15)21-13(3)25/h4-10,26H,1-3H3,(H,21,25)(H,22,27)(H,23,24)
InChIKeyZWWVUOYVXMJOEB-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.61
Rot. Bonds4

About N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide

N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 2036050) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID2036050
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1
InChIInChI=1S/C20H20N4O3/c1-11-4-9-16(19(26)12(11)2)17-10-18(24-23-17)20(27)22-15-7-5-14(6-8-15)21-13(3)25/h4-10,26H,1-3H3,(H,21,25)(H,22,27)(H,23,24)
InChIKeyZWWVUOYVXMJOEB-UHFFFAOYSA-N
XLogP3.61
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785458
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785472
N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46948688
3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 2029178
3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135675392
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135855466
ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 135675399
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046431
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide (CID 2036050) is N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZWWVUOYVXMJOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-11-4-9-16(19(26)12(11)2)17-10-18(24-23-17)20(27)22-15-7-5-14(6-8-15)21-13(3)25/h4-10,26H,1-3H3,(H,21,25)(H,22,27)(H,23,24).
What are the key properties of N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2036050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).