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

C20H24N4O2S — CID 46269406

IUPAC3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide
SMILESCc1ccc(-c2csc(-n3[nH]c(C)c(CCC(=O)NC(C)C)c3=O)n2)cc1
InChIInChI=1S/C20H24N4O2S/c1-12(2)21-18(25)10-9-16-14(4)23-24(19(16)26)20-22-17(11-27-20)15-7-5-13(3)6-8-15/h5-8,11-12,23H,9-10H2,1-4H3,(H,21,25)
InChIKeyXVURSKYCGPTRIU-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.36
Rot. Bonds6

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

3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide (PubChem CID 46269406) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide
PubChem CID46269406
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide
SMILESCc1ccc(-c2csc(-n3[nH]c(C)c(CCC(=O)NC(C)C)c3=O)n2)cc1
InChIInChI=1S/C20H24N4O2S/c1-12(2)21-18(25)10-9-16-14(4)23-24(19(16)26)20-22-17(11-27-20)15-7-5-13(3)6-8-15/h5-8,11-12,23H,9-10H2,1-4H3,(H,21,25)
InChIKeyXVURSKYCGPTRIU-UHFFFAOYSA-N
XLogP3.36
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750988
methyl 3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoate
CID 46269430
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-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)propanamide
CID 46269439
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-(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
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-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750942
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-(2-ethoxyphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide
CID 46269228
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyrazol-3-one
CID 46269234

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide (CID 46269406) is 3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide is Cc1ccc(-c2csc(-n3[nH]c(C)c(CCC(=O)NC(C)C)c3=O)n2)cc1.
What is the InChIKey of 3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide?
The InChIKey is XVURSKYCGPTRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12(2)21-18(25)10-9-16-14(4)23-24(19(16)26)20-22-17(11-27-20)15-7-5-13(3)6-8-15/h5-8,11-12,23H,9-10H2,1-4H3,(H,21,25).
What are the key properties of 3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide?
3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide has a molecular weight of 384.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 46269406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).