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

C19H18N4O3 — CID 2039042

IUPACN-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3O)n[nH]2)cc1
InChIInChI=1S/C19H18N4O3/c1-11-3-8-15(18(25)9-11)16-10-17(23-22-16)19(26)21-14-6-4-13(5-7-14)20-12(2)24/h3-10,25H,1-2H3,(H,20,24)(H,21,26)(H,22,23)
InChIKeyGEBAVROMWXDJSK-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.30
Rot. Bonds4

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

N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 2039042) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID2039042
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3O)n[nH]2)cc1
InChIInChI=1S/C19H18N4O3/c1-11-3-8-15(18(25)9-11)16-10-17(23-22-16)19(26)21-14-6-4-13(5-7-14)20-12(2)24/h3-10,25H,1-2H3,(H,20,24)(H,21,26)(H,22,23)
InChIKeyGEBAVROMWXDJSK-UHFFFAOYSA-N
XLogP3.30
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 1838078
N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 4860409
N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1836662
(5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide
CID 1838188
5-(2-hydroxy-4,5-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1848114
N-(3,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1855608
5-(5-chloro-2-hydroxyphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1858336
(5E)-N-(2,5-dimethylphenyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872658
5-(2-hydroxy-3,4-dimethylphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 1938961
5-(2-hydroxy-5-methylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1939904
5-(2-hydroxy-3,4-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1946538
3-(2-hydroxy-4,6-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 1956599

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 2039042) is N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3O)n[nH]2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GEBAVROMWXDJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-3-8-15(18(25)9-11)16-10-17(23-22-16)19(26)21-14-6-4-13(5-7-14)20-12(2)24/h3-10,25H,1-2H3,(H,20,24)(H,21,26)(H,22,23).
What are the key properties of N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-acetamidophenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.30, 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-4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2039042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).