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2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H20F3N5O — CID 154740009

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C15H20F3N5O/c1-8-12(10(3)23(21-8)7-15(16,17)18)6-13(24)19-14-9(2)20-22(5)11(14)4/h6-7H2,1-5H3,(H,19,24)
InChIKeyJRCMSYIVTCGBQW-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.59
Rot. Bonds4

About 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 154740009) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID154740009
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C15H20F3N5O/c1-8-12(10(3)23(21-8)7-15(16,17)18)6-13(24)19-14-9(2)20-22(5)11(14)4/h6-7H2,1-5H3,(H,19,24)
InChIKeyJRCMSYIVTCGBQW-UHFFFAOYSA-N
XLogP2.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 154740009) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is JRCMSYIVTCGBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-8-12(10(3)23(21-8)7-15(16,17)18)6-13(24)19-14-9(2)20-22(5)11(14)4/h6-7H2,1-5H3,(H,19,24).
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 343.35 g/mol, XLogP of 2.59, 4 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-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 154740009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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