8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H26N4O3 — CID 50969258

IUPAC8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C17H26N4O3/c1-4-21-14(10-13(19-21)9-12(2)3)15(22)20-7-5-17(6-8-20)11-18-16(23)24-17/h10,12H,4-9,11H2,1-3H3,(H,18,23)
InChIKeyGNZQREKJCKDCHD-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.82
Rot. Bonds4

About 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 50969258) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID50969258
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C17H26N4O3/c1-4-21-14(10-13(19-21)9-12(2)3)15(22)20-7-5-17(6-8-20)11-18-16(23)24-17/h10,12H,4-9,11H2,1-3H3,(H,18,23)
InChIKeyGNZQREKJCKDCHD-UHFFFAOYSA-N
XLogP1.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 50969258) is 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)CNC(=O)O2.
What is the InChIKey of 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GNZQREKJCKDCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-4-21-14(10-13(19-21)9-12(2)3)15(22)20-7-5-17(6-8-20)11-18-16(23)24-17/h10,12H,4-9,11H2,1-3H3,(H,18,23).
What are the key properties of 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 334.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 50969258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).