2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C18H28N6O — CID 128969726

IUPAC2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCc1nn(C)c(CC)c1CC(=O)N1CCCCC1c1n[nH]c(C)n1
InChIInChI=1S/C18H28N6O/c1-5-14-13(15(6-2)23(4)22-14)11-17(25)24-10-8-7-9-16(24)18-19-12(3)20-21-18/h16H,5-11H2,1-4H3,(H,19,20,21)
InChIKeyCCSDXZPEEMUSFB-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.27
Rot. Bonds5

About 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 128969726) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID128969726
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCc1nn(C)c(CC)c1CC(=O)N1CCCCC1c1n[nH]c(C)n1
InChIInChI=1S/C18H28N6O/c1-5-14-13(15(6-2)23(4)22-14)11-17(25)24-10-8-7-9-16(24)18-19-12(3)20-21-18/h16H,5-11H2,1-4H3,(H,19,20,21)
InChIKeyCCSDXZPEEMUSFB-UHFFFAOYSA-N
XLogP2.27
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 129492142
2-(3-methyl-4-pyridinyl)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 129492191
1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 99994061
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 99972032
2-(5-methoxy-2-pyridinyl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 128970102
2-(2-chloro-4-fluorophenyl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 128969706
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 99930470
(1-methyl-5-propan-2-ylpyrazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969748
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 146142957
(1-cyclopentylpiperidin-4-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 126448533
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 119067262
2-(2-chloro-4-fluorophenyl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 77091112

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 128969726) is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CCc1nn(C)c(CC)c1CC(=O)N1CCCCC1c1n[nH]c(C)n1.
What is the InChIKey of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is CCSDXZPEEMUSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-5-14-13(15(6-2)23(4)22-14)11-17(25)24-10-8-7-9-16(24)18-19-12(3)20-21-18/h16H,5-11H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 344.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 128969726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).