N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide

C24H23ClN4OS — CID 46265391

IUPACN-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
SMILESCc1nn(-c2nc(CC(=O)NCc3ccccc3)cs2)c(C)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4OS/c1-16-22(12-18-8-10-20(25)11-9-18)17(2)29(28-16)24-27-21(15-31-24)13-23(30)26-14-19-6-4-3-5-7-19/h3-11,15H,12-14H2,1-2H3,(H,26,30)
InChIKeySEJWICUSKFPSOX-UHFFFAOYSA-N
MW451.00 g/mol
LogP5.05
Rot. Bonds7

About N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide

N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide (PubChem CID 46265391) has the molecular formula C24H23ClN4OS and a molecular weight of 451.00 g/mol. Its IUPAC name is N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
PubChem CID46265391
Molecular FormulaC24H23ClN4OS
Molecular Weight451.00 g/mol
Exact Mass450.13
IUPAC NameN-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
SMILESCc1nn(-c2nc(CC(=O)NCc3ccccc3)cs2)c(C)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4OS/c1-16-22(12-18-8-10-20(25)11-9-18)17(2)29(28-16)24-27-21(15-31-24)13-23(30)26-14-19-6-4-3-5-7-19/h3-11,15H,12-14H2,1-2H3,(H,26,30)
InChIKeySEJWICUSKFPSOX-UHFFFAOYSA-N
XLogP5.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.00
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 46265381
N-(5-chloro-2-methylphenyl)-2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265419
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 46265433
N-butyl-2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265407
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 46265366
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46265421
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 46265369
N-(2-methoxyphenyl)-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265469
2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50751077
N-(4-chlorophenyl)-2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
CID 46269623
N-(4-fluorophenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 50751083

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide (CID 46265391) is N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide is Cc1nn(-c2nc(CC(=O)NCc3ccccc3)cs2)c(C)c1Cc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is SEJWICUSKFPSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4OS/c1-16-22(12-18-8-10-20(25)11-9-18)17(2)29(28-16)24-27-21(15-31-24)13-23(30)26-14-19-6-4-3-5-7-19/h3-11,15H,12-14H2,1-2H3,(H,26,30).
What are the key properties of N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 451.00 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46265391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).