2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

C14H22N6O — CID 56877804

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NC(C)c2n[nH]c(C)n2)c1C
InChIInChI=1S/C14H22N6O/c1-6-12-8(2)19-20(10(12)4)7-13(21)15-9(3)14-16-11(5)17-18-14/h9H,6-7H2,1-5H3,(H,15,21)(H,16,17,18)
InChIKeyALQLUBMLKKEOFZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.37
Rot. Bonds5

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 56877804) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID56877804
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NC(C)c2n[nH]c(C)n2)c1C
InChIInChI=1S/C14H22N6O/c1-6-12-8(2)19-20(10(12)4)7-13(21)15-9(3)14-16-11(5)17-18-14/h9H,6-7H2,1-5H3,(H,15,21)(H,16,17,18)
InChIKeyALQLUBMLKKEOFZ-UHFFFAOYSA-N
XLogP1.37
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
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2-{5-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl}acetamide
CID 131946087

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 56877804) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is CCc1c(C)nn(CC(=O)NC(C)c2n[nH]c(C)n2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is ALQLUBMLKKEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-6-12-8(2)19-20(10(12)4)7-13(21)15-9(3)14-16-11(5)17-18-14/h9H,6-7H2,1-5H3,(H,15,21)(H,16,17,18).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 290.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 56877804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).