2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide

C24H24N4OS — CID 53045281

IUPAC2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide
SMILESCc1ccc(-c2csc(-n3nc(C)c(CC(=O)Nc4cccc(C)c4)c3C)n2)cc1
InChIInChI=1S/C24H24N4OS/c1-15-8-10-19(11-9-15)22-14-30-24(26-22)28-18(4)21(17(3)27-28)13-23(29)25-20-7-5-6-16(2)12-20/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyNQVFLQALAHXHRO-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.41
Rot. Bonds5

About 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide

2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53045281) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide
PubChem CID53045281
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide
SMILESCc1ccc(-c2csc(-n3nc(C)c(CC(=O)Nc4cccc(C)c4)c3C)n2)cc1
InChIInChI=1S/C24H24N4OS/c1-15-8-10-19(11-9-15)22-14-30-24(26-22)28-18(4)21(17(3)27-28)13-23(29)25-20-7-5-6-16(2)12-20/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyNQVFLQALAHXHRO-UHFFFAOYSA-N
XLogP5.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 53045309
2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
CID 53045303
1-(azepan-1-yl)-2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]ethanone
CID 53045268
N-(3-acetylphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide
CID 20898666
N-(3-chlorophenyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 53045355
N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 32951588
N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 4203345
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46265421
3-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
CID 25281712
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750096
2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50751077

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide (CID 53045281) is 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide is Cc1ccc(-c2csc(-n3nc(C)c(CC(=O)Nc4cccc(C)c4)c3C)n2)cc1.
What is the InChIKey of 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is NQVFLQALAHXHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-15-8-10-19(11-9-15)22-14-30-24(26-22)28-18(4)21(17(3)27-28)13-23(29)25-20-7-5-6-16(2)12-20/h5-12,14H,13H2,1-4H3,(H,25,29).
What are the key properties of 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide?
2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 416.55 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53045281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).