2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide

C11H11F5N6O — CID 166300131

IUPAC2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCn1nccc1C(F)(F)C(=O)NCc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C11H11F5N6O/c1-21-6(3-4-18-21)10(12,13)9(23)17-5-7-19-8(11(14,15)16)20-22(7)2/h3-4H,5H2,1-2H3,(H,17,23)
InChIKeyWMKXKEANRCQFMS-UHFFFAOYSA-N
MW338.24 g/mol
LogP0.98
Rot. Bonds4

About 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide

2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide (PubChem CID 166300131) has the molecular formula C11H11F5N6O and a molecular weight of 338.24 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide
PubChem CID166300131
Molecular FormulaC11H11F5N6O
Molecular Weight338.24 g/mol
Exact Mass338.09
IUPAC Name2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCn1nccc1C(F)(F)C(=O)NCc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C11H11F5N6O/c1-21-6(3-4-18-21)10(12,13)9(23)17-5-7-19-8(11(14,15)16)20-22(7)2/h3-4H,5H2,1-2H3,(H,17,23)
InChIKeyWMKXKEANRCQFMS-UHFFFAOYSA-N
XLogP0.98
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide (CID 166300131) is 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide is Cn1nccc1C(F)(F)C(=O)NCc1nc(C(F)(F)F)nn1C.
What is the InChIKey of 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The InChIKey is WMKXKEANRCQFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N6O/c1-21-6(3-4-18-21)10(12,13)9(23)17-5-7-19-8(11(14,15)16)20-22(7)2/h3-4H,5H2,1-2H3,(H,17,23).
What are the key properties of 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide has a molecular weight of 338.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-methylpyrazol-3-yl)-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]acetamide is sourced from PubChem (CID 166300131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).