5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one

C15H24N4O2 — CID 110201392

IUPAC5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCn1ccc(C(=O)N2CCCCCCNC(=O)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-2-19-12-7-13(17-19)15(21)18-10-6-4-3-5-9-16-14(20)8-11-18/h7,12H,2-6,8-11H2,1H3,(H,16,20)
InChIKeyTXFIMLYBMFTDAH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.43
Rot. Bonds2

About 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one

5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201392) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201392
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCn1ccc(C(=O)N2CCCCCCNC(=O)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-2-19-12-7-13(17-19)15(21)18-10-6-4-3-5-9-16-14(20)8-11-18/h7,12H,2-6,8-11H2,1H3,(H,16,20)
InChIKeyTXFIMLYBMFTDAH-UHFFFAOYSA-N
XLogP1.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201392) is 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one is CCn1ccc(C(=O)N2CCCCCCNC(=O)CC2)n1.
What is the InChIKey of 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is TXFIMLYBMFTDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-19-12-7-13(17-19)15(21)18-10-6-4-3-5-9-16-14(20)8-11-18/h7,12H,2-6,8-11H2,1H3,(H,16,20).
What are the key properties of 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).