N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide

C26H23N3O4 — CID 2708937

IUPACN-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
SMILESCOc1ccccc1CNC(=O)COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C26H23N3O4/c1-32-23-13-7-5-9-19(23)15-27-25(30)18-33-24-14-8-6-12-22(24)26(31)20-16-28-29(17-20)21-10-3-2-4-11-21/h2-14,16-17H,15,18H2,1H3,(H,27,30)
InChIKeyXQMZJUMRTASDJY-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.81
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide

N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide (PubChem CID 2708937) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
PubChem CID2708937
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
SMILESCOc1ccccc1CNC(=O)COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C26H23N3O4/c1-32-23-13-7-5-9-19(23)15-27-25(30)18-33-24-14-8-6-12-22(24)26(31)20-16-28-29(17-20)21-10-3-2-4-11-21/h2-14,16-17H,15,18H2,1H3,(H,27,30)
InChIKeyXQMZJUMRTASDJY-UHFFFAOYSA-N
XLogP3.81
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417459
4-fluoro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417460
4-methyl-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417462
4-methoxy-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417463
3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-yloxyacetic acid
CID 44417467
[3',5'-difluoro-3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-yloxy]acetic acid
CID 44417474
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
N-(2-methoxybenzyl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 997165
1-[4-(5-Fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone
CID 2116207
2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide
CID 2345722
N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
CID 2398145

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide (CID 2708937) is N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide is COc1ccccc1CNC(=O)COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
The InChIKey is XQMZJUMRTASDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-32-23-13-7-5-9-19(23)15-27-25(30)18-33-24-14-8-6-12-22(24)26(31)20-16-28-29(17-20)21-10-3-2-4-11-21/h2-14,16-17H,15,18H2,1H3,(H,27,30).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide has a molecular weight of 441.49 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 2708937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).