N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide

C23H22N4O3S — CID 46269228

IUPACN-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
InChIInChI=1S/C23H22N4O3S/c1-3-30-20-12-8-7-11-18(20)24-21(28)13-17-15(2)26-27(22(17)29)23-25-19(14-31-23)16-9-5-4-6-10-16/h4-12,14,26H,3,13H2,1-2H3,(H,24,28)
InChIKeyOEADSOCVQYHSFI-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.18
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide

N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide (PubChem CID 46269228) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide
PubChem CID46269228
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
InChIInChI=1S/C23H22N4O3S/c1-3-30-20-12-8-7-11-18(20)24-21(28)13-17-15(2)26-27(22(17)29)23-25-19(14-31-23)16-9-5-4-6-10-16/h4-12,14,26H,3,13H2,1-2H3,(H,24,28)
InChIKeyOEADSOCVQYHSFI-UHFFFAOYSA-N
XLogP4.18
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide
CID 50750668
N-(3,4-dimethylphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide
CID 46269222
N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide
CID 50750622
N-(3-acetylphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide
CID 20898666
3-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)propanamide
CID 46269439
N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780537
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750988
N-(2-ethoxyphenyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790890
N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447258
N-(2-ethoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271462
4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 142488276

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide (CID 46269228) is N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide is CCOc1ccccc1NC(=O)Cc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is OEADSOCVQYHSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-3-30-20-12-8-7-11-18(20)24-21(28)13-17-15(2)26-27(22(17)29)23-25-19(14-31-23)16-9-5-4-6-10-16/h4-12,14,26H,3,13H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide?
N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 46269228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).