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

C20H21N3O3 — CID 2031826

IUPAC3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1
InChIInChI=1S/C20H21N3O3/c1-12-8-13(2)19(24)16(9-12)17-10-18(23-22-17)20(25)21-11-14-4-6-15(26-3)7-5-14/h4-10,24H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyAZXKMZCQUTZXJD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.34
Rot. Bonds5

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

3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 2031826) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID2031826
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1
InChIInChI=1S/C20H21N3O3/c1-12-8-13(2)19(24)16(9-12)17-10-18(23-22-17)20(25)21-11-14-4-6-15(26-3)7-5-14/h4-10,24H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyAZXKMZCQUTZXJD-UHFFFAOYSA-N
XLogP3.34
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 2031826) is 3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1.
What is the InChIKey of 3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AZXKMZCQUTZXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-8-13(2)19(24)16(9-12)17-10-18(23-22-17)20(25)21-11-14-4-6-15(26-3)7-5-14/h4-10,24H,11H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2031826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).