N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H19F3N4OS — CID 70721176

IUPACN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)Cc2csc(C)n2)n1
InChIInChI=1S/C15H19F3N4OS/c1-9(6-19-14(23)5-12-8-24-11(3)20-12)7-22-13(15(16,17)18)4-10(2)21-22/h4,8-9H,5-7H2,1-3H3,(H,19,23)
InChIKeyHDQWYKCBULYNRA-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.97
Rot. Bonds6

About N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 70721176) has the molecular formula C15H19F3N4OS and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID70721176
Molecular FormulaC15H19F3N4OS
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)Cc2csc(C)n2)n1
InChIInChI=1S/C15H19F3N4OS/c1-9(6-19-14(23)5-12-8-24-11(3)20-12)7-22-13(15(16,17)18)4-10(2)21-22/h4,8-9H,5-7H2,1-3H3,(H,19,23)
InChIKeyHDQWYKCBULYNRA-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 70721176) is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1cc(C(F)(F)F)n(CC(C)CNC(=O)Cc2csc(C)n2)n1.
What is the InChIKey of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HDQWYKCBULYNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4OS/c1-9(6-19-14(23)5-12-8-24-11(3)20-12)7-22-13(15(16,17)18)4-10(2)21-22/h4,8-9H,5-7H2,1-3H3,(H,19,23).
What are the key properties of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 360.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 70721176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).