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

C15H22N4O3 — CID 56887213

IUPAC9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCn1nc(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)cc1C
InChIInChI=1S/C15H22N4O3/c1-4-19-11(2)8-12(16-19)13(20)18-7-5-6-15(10-18)9-17(3)14(21)22-15/h8H,4-7,9-10H2,1-3H3
InChIKeyHHCMKDUDRFWEML-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.27
Rot. Bonds2

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

9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56887213) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56887213
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCn1nc(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)cc1C
InChIInChI=1S/C15H22N4O3/c1-4-19-11(2)8-12(16-19)13(20)18-7-5-6-15(10-18)9-17(3)14(21)22-15/h8H,4-7,9-10H2,1-3H3
InChIKeyHHCMKDUDRFWEML-UHFFFAOYSA-N
XLogP1.27
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56887213) is 9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCn1nc(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)cc1C.
What is the InChIKey of 9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is HHCMKDUDRFWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-19-11(2)8-12(16-19)13(20)18-7-5-6-15(10-18)9-17(3)14(21)22-15/h8H,4-7,9-10H2,1-3H3.
What are the key properties of 9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(1-ethyl-5-methylpyrazole-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 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-ethyl-5-methylpyrazole-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56887213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).