9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one

C17H22N6O2 — CID 118739526

IUPAC9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(N2CCC3(CCCN(C(=O)c4ccnn4C)C3)C2=O)cn1
InChIInChI=1S/C17H22N6O2/c1-20-11-13(10-19-20)23-9-6-17(16(23)25)5-3-8-22(12-17)15(24)14-4-7-18-21(14)2/h4,7,10-11H,3,5-6,8-9,12H2,1-2H3
InChIKeyPVBFQPJNLXHOCM-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.81
Rot. Bonds2

About 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one

9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118739526) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118739526
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(N2CCC3(CCCN(C(=O)c4ccnn4C)C3)C2=O)cn1
InChIInChI=1S/C17H22N6O2/c1-20-11-13(10-19-20)23-9-6-17(16(23)25)5-3-8-22(12-17)15(24)14-4-7-18-21(14)2/h4,7,10-11H,3,5-6,8-9,12H2,1-2H3
InChIKeyPVBFQPJNLXHOCM-UHFFFAOYSA-N
XLogP0.81
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 118739526) is 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one is Cn1cc(N2CCC3(CCCN(C(=O)c4ccnn4C)C3)C2=O)cn1.
What is the InChIKey of 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is PVBFQPJNLXHOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-20-11-13(10-19-20)23-9-6-17(16(23)25)5-3-8-22(12-17)15(24)14-4-7-18-21(14)2/h4,7,10-11H,3,5-6,8-9,12H2,1-2H3.
What are the key properties of 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 342.40 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118739526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).