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

C19H19F3N4OS — CID 55702716

IUPAC2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CNC(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)n1
InChIInChI=1S/C19H19F3N4OS/c1-11-10-28-18(24-11)9-23-17(27)8-16-12(2)25-26(13(16)3)15-6-4-5-14(7-15)19(20,21)22/h4-7,10H,8-9H2,1-3H3,(H,23,27)
InChIKeyVSIMOJMDUMLCSR-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.13
Rot. Bonds5

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

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 55702716) has the molecular formula C19H19F3N4OS and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID55702716
Molecular FormulaC19H19F3N4OS
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CNC(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)n1
InChIInChI=1S/C19H19F3N4OS/c1-11-10-28-18(24-11)9-23-17(27)8-16-12(2)25-26(13(16)3)15-6-4-5-14(7-15)19(20,21)22/h4-7,10H,8-9H2,1-3H3,(H,23,27)
InChIKeyVSIMOJMDUMLCSR-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 47048127
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 78884584
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 55759911
N-(3-anilinopropyl)-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 56586408
4-chloro-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]benzohydrazide
CID 55702587
2-(4-chlorophenyl)-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]acetohydrazide
CID 55702683
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 47047946
N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide
CID 86892302
[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 39369333
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 78883964
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 167844133
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 55757369

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 55702716) is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1csc(CNC(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)n1.
What is the InChIKey of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is VSIMOJMDUMLCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4OS/c1-11-10-28-18(24-11)9-23-17(27)8-16-12(2)25-26(13(16)3)15-6-4-5-14(7-15)19(20,21)22/h4-7,10H,8-9H2,1-3H3,(H,23,27).
What are the key properties of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 408.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 55702716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).