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

C20H21N3O2 — CID 2029178

IUPAC3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1
InChIInChI=1S/C20H21N3O2/c1-12-4-7-15(8-5-12)11-21-20(25)18-10-17(22-23-18)16-9-6-13(2)14(3)19(16)24/h4-10,24H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyOHZWUKQDMUGHGC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.64
Rot. Bonds4

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

3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 2029178) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID2029178
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1
InChIInChI=1S/C20H21N3O2/c1-12-4-7-15(8-5-12)11-21-20(25)18-10-17(22-23-18)16-9-6-13(2)14(3)19(16)24/h4-10,24H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyOHZWUKQDMUGHGC-UHFFFAOYSA-N
XLogP3.64
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 2036050
N-[(4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880688
3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
CID 166225953
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135894587
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135855466
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 50751661
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 667010
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 2029178) is 3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1.
What is the InChIKey of 3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OHZWUKQDMUGHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-4-7-15(8-5-12)11-21-20(25)18-10-17(22-23-18)16-9-6-13(2)14(3)19(16)24/h4-10,24H,11H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2029178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).