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

C15H23N3O2 — CID 110203873

IUPAC(1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCCn1ccc(C(=O)N2CCC3(CCCCO3)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-2-18-9-5-13(16-18)14(19)17-10-7-15(8-11-17)6-3-4-12-20-15/h5,9H,2-4,6-8,10-12H2,1H3
InChIKeyHGIFDRNGHJPIFK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.08
Rot. Bonds2

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

(1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 110203873) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID110203873
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCCn1ccc(C(=O)N2CCC3(CCCCO3)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-2-18-9-5-13(16-18)14(19)17-10-7-15(8-11-17)6-3-4-12-20-15/h5,9H,2-4,6-8,10-12H2,1H3
InChIKeyHGIFDRNGHJPIFK-UHFFFAOYSA-N
XLogP2.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 110203873) is (1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is CCn1ccc(C(=O)N2CCC3(CCCCO3)CC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is HGIFDRNGHJPIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-18-9-5-13(16-18)14(19)17-10-7-15(8-11-17)6-3-4-12-20-15/h5,9H,2-4,6-8,10-12H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 110203873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).