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

C10H11F3N6O — CID 126821780

IUPACN-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ncnn1C
InChIInChI=1S/C10H11F3N6O/c1-6-3-7(10(11,12)13)17-19(6)4-8(20)16-9-14-5-15-18(9)2/h3,5H,4H2,1-2H3,(H,14,15,16,20)
InChIKeyFWGNCLMPWRYHAF-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.98
Rot. Bonds3

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

N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 126821780) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID126821780
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ncnn1C
InChIInChI=1S/C10H11F3N6O/c1-6-3-7(10(11,12)13)17-19(6)4-8(20)16-9-14-5-15-18(9)2/h3,5H,4H2,1-2H3,(H,14,15,16,20)
InChIKeyFWGNCLMPWRYHAF-UHFFFAOYSA-N
XLogP0.98
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-1-methylpyrazol-4-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126833324
N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 139003734
N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126841518
N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519236
N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519068
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35537538
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 119055902
N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 177147967
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519175
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519261
1-ethyl-N-methyl-4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
CID 19519292
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519123

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 126821780) is N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ncnn1C.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FWGNCLMPWRYHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-6-3-7(10(11,12)13)17-19(6)4-8(20)16-9-14-5-15-18(9)2/h3,5H,4H2,1-2H3,(H,14,15,16,20).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 288.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 126821780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).