5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one

C16H26N4O2 — CID 110201430

IUPAC5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCn1ncc(C(=O)N2CCCCCCNC(=O)CC2)c1C
InChIInChI=1S/C16H26N4O2/c1-3-20-13(2)14(12-18-20)16(22)19-10-7-5-4-6-9-17-15(21)8-11-19/h12H,3-11H2,1-2H3,(H,17,21)
InChIKeyUEUKHYFNCXNKCK-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.73
Rot. Bonds2

About 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one

5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201430) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201430
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCn1ncc(C(=O)N2CCCCCCNC(=O)CC2)c1C
InChIInChI=1S/C16H26N4O2/c1-3-20-13(2)14(12-18-20)16(22)19-10-7-5-4-6-9-17-15(21)8-11-19/h12H,3-11H2,1-2H3,(H,17,21)
InChIKeyUEUKHYFNCXNKCK-UHFFFAOYSA-N
XLogP1.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)-
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Etipirol
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1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-
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4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperazin-2-one
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N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
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1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201430) is 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one is CCn1ncc(C(=O)N2CCCCCCNC(=O)CC2)c1C.
What is the InChIKey of 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is UEUKHYFNCXNKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-20-13(2)14(12-18-20)16(22)19-10-7-5-4-6-9-17-15(21)8-11-19/h12H,3-11H2,1-2H3,(H,17,21).
What are the key properties of 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).