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

C25H24F3N5O — CID 55760119

IUPAC2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C25H24F3N5O/c1-16-21(17(2)33(31-16)20-11-7-10-19(14-20)25(26,27)28)15-22(34)30-23(18-8-5-4-6-9-18)24-29-12-13-32(24)3/h4-14,23H,15H2,1-3H3,(H,30,34)
InChIKeyWYDQFPWXIPHMAD-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.69
Rot. Bonds6

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

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 55760119) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID55760119
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C25H24F3N5O/c1-16-21(17(2)33(31-16)20-11-7-10-19(14-20)25(26,27)28)15-22(34)30-23(18-8-5-4-6-9-18)24-29-12-13-32(24)3/h4-14,23H,15H2,1-3H3,(H,30,34)
InChIKeyWYDQFPWXIPHMAD-UHFFFAOYSA-N
XLogP4.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55759241
N-(3-anilinopropyl)-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 56586408
2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 90647674
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 78884584
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 47047946
2-(4-chlorophenyl)-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]acetohydrazide
CID 55702683
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 55759911
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 24683970
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 78883964
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
4-chloro-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]benzohydrazide
CID 55702587
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (CID 55760119) is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NC(c1ccccc1)c1nccn1C.
What is the InChIKey of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is WYDQFPWXIPHMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-16-21(17(2)33(31-16)20-11-7-10-19(14-20)25(26,27)28)15-22(34)30-23(18-8-5-4-6-9-18)24-29-12-13-32(24)3/h4-14,23H,15H2,1-3H3,(H,30,34).
What are the key properties of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 467.50 g/mol, XLogP of 4.69, 6 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-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 55760119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).