(2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C18H29N3O4 — CID 91918110

IUPAC(2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC2(CC1)CC(OCCOC)CCO2
InChIInChI=1S/C18H29N3O4/c1-3-21-16(4-8-19-21)17(22)20-9-6-18(7-10-20)14-15(5-11-25-18)24-13-12-23-2/h4,8,15H,3,5-7,9-14H2,1-2H3
InChIKeyQYOIKBRCIPZBLP-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.72
Rot. Bonds6

About (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 91918110) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID91918110
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name(2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC2(CC1)CC(OCCOC)CCO2
InChIInChI=1S/C18H29N3O4/c1-3-21-16(4-8-19-21)17(22)20-9-6-18(7-10-20)14-15(5-11-25-18)24-13-12-23-2/h4,8,15H,3,5-7,9-14H2,1-2H3
InChIKeyQYOIKBRCIPZBLP-UHFFFAOYSA-N
XLogP1.72
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 91918110) is (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is CCn1nccc1C(=O)N1CCC2(CC1)CC(OCCOC)CCO2.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is QYOIKBRCIPZBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-3-21-16(4-8-19-21)17(22)20-9-6-18(7-10-20)14-15(5-11-25-18)24-13-12-23-2/h4,8,15H,3,5-7,9-14H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 91918110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).