N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide

C15H14F3N7O — CID 167790357

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)Cn1cc(-c2cccc(C(F)(F)F)n2)nn1
InChIInChI=1S/C15H14F3N7O/c1-8-14(9(2)22-21-8)20-13(26)7-25-6-11(23-24-25)10-4-3-5-12(19-10)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,26)(H,21,22)
InChIKeyJZDVTEPTUKBIQL-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.34
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide (PubChem CID 167790357) has the molecular formula C15H14F3N7O and a molecular weight of 365.32 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide
PubChem CID167790357
Molecular FormulaC15H14F3N7O
Molecular Weight365.32 g/mol
Exact Mass365.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)Cn1cc(-c2cccc(C(F)(F)F)n2)nn1
InChIInChI=1S/C15H14F3N7O/c1-8-14(9(2)22-21-8)20-13(26)7-25-6-11(23-24-25)10-4-3-5-12(19-10)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,26)(H,21,22)
InChIKeyJZDVTEPTUKBIQL-UHFFFAOYSA-N
XLogP2.34
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112525274
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 116641691
N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525290
N-(3-methyl-2H-indazol-6-yl)-2-[4-(trifluoromethyl)triazol-1-yl]acetamide
CID 166321539
N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide
CID 167878540
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914872
N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide
CID 166387836
2-(1-ethyltriazol-4-yl)-6-methylpyridine
CID 118348736
5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide
CID 166188150
2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
CID 122182997
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 5003797
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide (CID 167790357) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)Cn1cc(-c2cccc(C(F)(F)F)n2)nn1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide?
The InChIKey is JZDVTEPTUKBIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O/c1-8-14(9(2)22-21-8)20-13(26)7-25-6-11(23-24-25)10-4-3-5-12(19-10)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,26)(H,21,22).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide has a molecular weight of 365.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide is sourced from PubChem (CID 167790357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).