2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

C11H13F3N6O2 — CID 138012257

IUPAC2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cn2ncn(C)c2=O)nn1CC(F)(F)F
InChIInChI=1S/C11H13F3N6O2/c1-7-3-8(17-20(7)5-11(12,13)14)16-9(21)4-19-10(22)18(2)6-15-19/h3,6H,4-5H2,1-2H3,(H,16,17,21)
InChIKeyOLUJNLDELIEJJA-UHFFFAOYSA-N
MW318.26 g/mol
LogP0.29
Rot. Bonds4

About 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (PubChem CID 138012257) has the molecular formula C11H13F3N6O2 and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
PubChem CID138012257
Molecular FormulaC11H13F3N6O2
Molecular Weight318.26 g/mol
Exact Mass318.11
IUPAC Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cn2ncn(C)c2=O)nn1CC(F)(F)F
InChIInChI=1S/C11H13F3N6O2/c1-7-3-8(17-20(7)5-11(12,13)14)16-9(21)4-19-10(22)18(2)6-15-19/h3,6H,4-5H2,1-2H3,(H,16,17,21)
InChIKeyOLUJNLDELIEJJA-UHFFFAOYSA-N
XLogP0.29
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 39030403
N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 45791474
N-(2,5-dimethylpyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45814651
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 46981201
2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162672135
N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-oxopiperazin-1-yl)acetamide
CID 90256814
6-methyl-1H,2H,3H-pyrazolo(1,5-a)imidazol-2-one
CID 138006181
N-[1-(2-amino-2-oxoethyl)-5-methylpyrazol-3-yl]-3-sulfanylpropanamide
CID 177680904
N-(2,5-dimethylpyrazol-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 36142051
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 36799947
N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 36800023

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (CID 138012257) is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is Cc1cc(NC(=O)Cn2ncn(C)c2=O)nn1CC(F)(F)F.
What is the InChIKey of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The InChIKey is OLUJNLDELIEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O2/c1-7-3-8(17-20(7)5-11(12,13)14)16-9(21)4-19-10(22)18(2)6-15-19/h3,6H,4-5H2,1-2H3,(H,16,17,21).
What are the key properties of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide has a molecular weight of 318.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 138012257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).