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

C15H24N4O2 — CID 110201393

IUPAC5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCc1cc(C(=O)N2CCCCCCNC(=O)CC2)nn1C
InChIInChI=1S/C15H24N4O2/c1-12-11-13(17-18(12)2)15(21)19-9-6-4-3-5-8-16-14(20)7-10-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyQNYCWGRZYAWGMU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.25
Rot. Bonds1

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

5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201393) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201393
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCc1cc(C(=O)N2CCCCCCNC(=O)CC2)nn1C
InChIInChI=1S/C15H24N4O2/c1-12-11-13(17-18(12)2)15(21)19-9-6-4-3-5-8-16-14(20)7-10-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyQNYCWGRZYAWGMU-UHFFFAOYSA-N
XLogP1.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201393) is 5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one is Cc1cc(C(=O)N2CCCCCCNC(=O)CC2)nn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is QNYCWGRZYAWGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-11-13(17-18(12)2)15(21)19-9-6-4-3-5-8-16-14(20)7-10-19/h11H,3-10H2,1-2H3,(H,16,20).
What are the key properties of 5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).