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

C17H16Cl2N4OS — CID 52636237

IUPAC2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)s1
InChIInChI=1S/C17H16Cl2N4OS/c1-9-8-20-17(25-9)21-16(24)7-13-10(2)22-23(11(13)3)15-5-4-12(18)6-14(15)19/h4-6,8H,7H2,1-3H3,(H,20,21,24)
InChIKeyKAWPHMHGGHUFCL-UHFFFAOYSA-N
MW395.32 g/mol
LogP4.74
Rot. Bonds4

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

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 52636237) has the molecular formula C17H16Cl2N4OS and a molecular weight of 395.32 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID52636237
Molecular FormulaC17H16Cl2N4OS
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)s1
InChIInChI=1S/C17H16Cl2N4OS/c1-9-8-20-17(25-9)21-16(24)7-13-10(2)22-23(11(13)3)15-5-4-12(18)6-14(15)19/h4-6,8H,7H2,1-3H3,(H,20,21,24)
InChIKeyKAWPHMHGGHUFCL-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 52636237) is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)s1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KAWPHMHGGHUFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4OS/c1-9-8-20-17(25-9)21-16(24)7-13-10(2)22-23(11(13)3)15-5-4-12(18)6-14(15)19/h4-6,8H,7H2,1-3H3,(H,20,21,24).
What are the key properties of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 395.32 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 52636237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).