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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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).