5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide

C26H24ClN3O5 — CID 135910301

IUPAC5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3ccnn3-c3ccccc3Cl)c(O)cc2O)c1OC
InChIInChI=1S/C26H24ClN3O5/c1-29(15-16-7-6-10-24(34-2)25(16)35-3)26(33)18-13-17(22(31)14-23(18)32)20-11-12-28-30(20)21-9-5-4-8-19(21)27/h4-14,31-32H,15H2,1-3H3
InChIKeyQUYJWNLLLSKBPL-UHFFFAOYSA-N
MW493.95 g/mol
LogP4.89
Rot. Bonds7

About 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide

5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide (PubChem CID 135910301) has the molecular formula C26H24ClN3O5 and a molecular weight of 493.95 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide
PubChem CID135910301
Molecular FormulaC26H24ClN3O5
Molecular Weight493.95 g/mol
Exact Mass493.14
IUPAC Name5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3ccnn3-c3ccccc3Cl)c(O)cc2O)c1OC
InChIInChI=1S/C26H24ClN3O5/c1-29(15-16-7-6-10-24(34-2)25(16)35-3)26(33)18-13-17(22(31)14-23(18)32)20-11-12-28-30(20)21-9-5-4-8-19(21)27/h4-14,31-32H,15H2,1-3H3
InChIKeyQUYJWNLLLSKBPL-UHFFFAOYSA-N
XLogP4.89
TPSA97.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2,4-Dichlorophenyl)-[2-hydroxy-4,6-dimethoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone
CID 136235550
(2,5-Dichlorophenyl)-[2-hydroxy-4,6-dimethoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone
CID 136235552
5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide
CID 162655239
N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
CID 135910238
5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 135910239
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-N-methylbenzamide
CID 135910241
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxy-N-methylbenzamide
CID 135910242
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(3-fluorophenyl)methyl]-2,4-dihydroxy-N-methylbenzamide
CID 135910259
5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 135910262
N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
CID 135910271
N-[(2-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
CID 135910272
N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
CID 135910292

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide?
The IUPAC name of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide (CID 135910301) is 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2cc(-c3ccnn3-c3ccccc3Cl)c(O)cc2O)c1OC.
What is the InChIKey of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide?
The InChIKey is QUYJWNLLLSKBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O5/c1-29(15-16-7-6-10-24(34-2)25(16)35-3)26(33)18-13-17(22(31)14-23(18)32)20-11-12-28-30(20)21-9-5-4-8-19(21)27/h4-14,31-32H,15H2,1-3H3.
What are the key properties of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide?
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide has a molecular weight of 493.95 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 135910301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).