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

C17H17ClN4O2S — CID 50750942

IUPACN-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCc1csc(-n2[nH]c(C)c(CCC(=O)Nc3cccc(Cl)c3)c2=O)n1
InChIInChI=1S/C17H17ClN4O2S/c1-10-9-25-17(19-10)22-16(24)14(11(2)21-22)6-7-15(23)20-13-5-3-4-12(18)8-13/h3-5,8-9,21H,6-7H2,1-2H3,(H,20,23)
InChIKeyNVNSWSVJSVTAEG-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.46
Rot. Bonds5

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

N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide (PubChem CID 50750942) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide
PubChem CID50750942
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC NameN-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCc1csc(-n2[nH]c(C)c(CCC(=O)Nc3cccc(Cl)c3)c2=O)n1
InChIInChI=1S/C17H17ClN4O2S/c1-10-9-25-17(19-10)22-16(24)14(11(2)21-22)6-7-15(23)20-13-5-3-4-12(18)8-13/h3-5,8-9,21H,6-7H2,1-2H3,(H,20,23)
InChIKeyNVNSWSVJSVTAEG-UHFFFAOYSA-N
XLogP3.46
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.46
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
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-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750925
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27377304
N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 20898801
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 46269245
2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50751095
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-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-(3-chlorophenyl)-3-(4,5-dimethyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 53046278
[2-(3-chloroanilino)-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8782929

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide (CID 50750942) is N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide is Cc1csc(-n2[nH]c(C)c(CCC(=O)Nc3cccc(Cl)c3)c2=O)n1.
What is the InChIKey of N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide?
The InChIKey is NVNSWSVJSVTAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-10-9-25-17(19-10)22-16(24)14(11(2)21-22)6-7-15(23)20-13-5-3-4-12(18)8-13/h3-5,8-9,21H,6-7H2,1-2H3,(H,20,23).
What are the key properties of N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide?
N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide has a molecular weight of 376.87 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 50750942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).