1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C15H22N4O2 — CID 163305486

IUPAC1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1nn(C)c(C(=O)N2CCCC23CCCNC3=O)c1C
InChIInChI=1S/C15H22N4O2/c1-10-11(2)17-18(3)12(10)13(20)19-9-5-7-15(19)6-4-8-16-14(15)21/h4-9H2,1-3H3,(H,16,21)
InChIKeySDUMWFMAWPAENI-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.92
Rot. Bonds1

About 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163305486) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163305486
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1nn(C)c(C(=O)N2CCCC23CCCNC3=O)c1C
InChIInChI=1S/C15H22N4O2/c1-10-11(2)17-18(3)12(10)13(20)19-9-5-7-15(19)6-4-8-16-14(15)21/h4-9H2,1-3H3,(H,16,21)
InChIKeySDUMWFMAWPAENI-UHFFFAOYSA-N
XLogP0.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163305486) is 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1nn(C)c(C(=O)N2CCCC23CCCNC3=O)c1C.
What is the InChIKey of 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is SDUMWFMAWPAENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-11(2)17-18(3)12(10)13(20)19-9-5-7-15(19)6-4-8-16-14(15)21/h4-9H2,1-3H3,(H,16,21).
What are the key properties of 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 290.37 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163305486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).