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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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).