9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H22N4O3 — CID 56916640

IUPAC9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1[nH]nc(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)c1C
InChIInChI=1S/C15H22N4O3/c1-4-11-10(2)12(17-16-11)13(20)19-7-5-6-15(9-19)8-18(3)14(21)22-15/h4-9H2,1-3H3,(H,16,17)
InChIKeyXAZLYFSQWRTGKP-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.34
Rot. Bonds2

About 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56916640) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56916640
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1[nH]nc(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)c1C
InChIInChI=1S/C15H22N4O3/c1-4-11-10(2)12(17-16-11)13(20)19-7-5-6-15(9-19)8-18(3)14(21)22-15/h4-9H2,1-3H3,(H,16,17)
InChIKeyXAZLYFSQWRTGKP-UHFFFAOYSA-N
XLogP1.34
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56871969
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892340
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56895561
8-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
CID 56902181
2-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72912648
[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 75384386
1-[3-(2,5-Dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97388943
[5-(2-Methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461851
[5-(Oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461854
Morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 97461861
1-[3-(Morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
(2-Methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 118738737

Frequently Asked Questions

What is the IUPAC name of 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56916640) is 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCc1[nH]nc(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)c1C.
What is the InChIKey of 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is XAZLYFSQWRTGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-11-10(2)12(17-16-11)13(20)19-7-5-6-15(9-19)8-18(3)14(21)22-15/h4-9H2,1-3H3,(H,16,17).
What are the key properties of 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 306.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56916640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).