N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide

C24H24N4O3S — CID 50750988

IUPACN-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)c1
InChIInChI=1S/C24H24N4O3S/c1-15-7-9-17(10-8-15)21-14-32-24(26-21)28-23(30)20(16(2)27-28)11-12-22(29)25-18-5-4-6-19(13-18)31-3/h4-10,13-14,27H,11-12H2,1-3H3,(H,25,29)
InChIKeyLNYSVHBBQAMGIS-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.49
Rot. Bonds7

About N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide

N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide (PubChem CID 50750988) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide
PubChem CID50750988
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)c1
InChIInChI=1S/C24H24N4O3S/c1-15-7-9-17(10-8-15)21-14-32-24(26-21)28-23(30)20(16(2)27-28)11-12-22(29)25-18-5-4-6-19(13-18)31-3/h4-10,13-14,27H,11-12H2,1-3H3,(H,25,29)
InChIKeyLNYSVHBBQAMGIS-UHFFFAOYSA-N
XLogP4.49
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 46269245
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-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 20898801
3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46269406
N-(3-acetylphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide
CID 20898666
methyl 3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoate
CID 46269430
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-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750942
N-(3,4-dimethylphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide
CID 46269222
2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide
CID 50750668
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4519858
N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750943

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide (CID 50750988) is N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide is COc1cccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide?
The InChIKey is LNYSVHBBQAMGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-15-7-9-17(10-8-15)21-14-32-24(26-21)28-23(30)20(16(2)27-28)11-12-22(29)25-18-5-4-6-19(13-18)31-3/h4-10,13-14,27H,11-12H2,1-3H3,(H,25,29).
What are the key properties of N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide?
N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide has a molecular weight of 448.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 50750988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).