8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one

C13H17N3O3 — CID 132775463

IUPAC8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESCc1[nH]ncc1C(=O)N1CCC2(CCCO2)C(=O)C1
InChIInChI=1S/C13H17N3O3/c1-9-10(7-14-15-9)12(18)16-5-4-13(11(17)8-16)3-2-6-19-13/h7H,2-6,8H2,1H3,(H,14,15)
InChIKeyHAWZHNULYZDIML-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.68
Rot. Bonds1

About 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one

8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one (PubChem CID 132775463) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
PubChem CID132775463
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESCc1[nH]ncc1C(=O)N1CCC2(CCCO2)C(=O)C1
InChIInChI=1S/C13H17N3O3/c1-9-10(7-14-15-9)12(18)16-5-4-13(11(17)8-16)3-2-6-19-13/h7H,2-6,8H2,1H3,(H,14,15)
InChIKeyHAWZHNULYZDIML-UHFFFAOYSA-N
XLogP0.68
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775762
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775486
1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one
CID 64694556
8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132764186
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 63998879
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56868207
(5-methyl-1H-pyrazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63997457
N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 112687931
8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132770129

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The IUPAC name of 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one (CID 132775463) is 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one.
What is the SMILES notation for 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The canonical SMILES for 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one is Cc1[nH]ncc1C(=O)N1CCC2(CCCO2)C(=O)C1.
What is the InChIKey of 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The InChIKey is HAWZHNULYZDIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-10(7-14-15-9)12(18)16-5-4-13(11(17)8-16)3-2-6-19-13/h7H,2-6,8H2,1H3,(H,14,15).
What are the key properties of 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one has a molecular weight of 263.30 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one is sourced from PubChem (CID 132775463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).