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

C19H19N3O2 — CID 666577

IUPACN-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)c(O)c1
InChIInChI=1S/C19H19N3O2/c1-11-4-6-13(3)15(8-11)20-19(24)17-10-16(21-22-17)14-7-5-12(2)9-18(14)23/h4-10,23H,1-3H3,(H,20,24)(H,21,22)
InChIKeyPIBODLSHIGXVRS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.96
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 666577) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID666577
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)c(O)c1
InChIInChI=1S/C19H19N3O2/c1-11-4-6-13(3)15(8-11)20-19(24)17-10-16(21-22-17)14-7-5-12(2)9-18(14)23/h4-10,23H,1-3H3,(H,20,24)(H,21,22)
InChIKeyPIBODLSHIGXVRS-UHFFFAOYSA-N
XLogP3.96
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 2039042
5-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 1838078
6-(2-Ethyl-4-Hydroxyphenyl)-1h-Indazole-3-Carboxamide
CID 135567294
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-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-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 666577) is N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)c(O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PIBODLSHIGXVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-4-6-13(3)15(8-11)20-19(24)17-10-16(21-22-17)14-7-5-12(2)9-18(14)23/h4-10,23H,1-3H3,(H,20,24)(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 666577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).