2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane

C15H25N3O — CID 91829921

IUPAC2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESCCn1ccc(CN2CCCC3(CCOCC3)C2)n1
InChIInChI=1S/C15H25N3O/c1-2-18-9-4-14(16-18)12-17-8-3-5-15(13-17)6-10-19-11-7-15/h4,9H,2-3,5-8,10-13H2,1H3
InChIKeyQWMRGLNPHRCQPX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.30
Rot. Bonds3

About 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane

2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 91829921) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane
PubChem CID91829921
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESCCn1ccc(CN2CCCC3(CCOCC3)C2)n1
InChIInChI=1S/C15H25N3O/c1-2-18-9-4-14(16-18)12-17-8-3-5-15(13-17)6-10-19-11-7-15/h4,9H,2-3,5-8,10-13H2,1H3
InChIKeyQWMRGLNPHRCQPX-UHFFFAOYSA-N
XLogP2.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane (CID 91829921) is 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane is CCn1ccc(CN2CCCC3(CCOCC3)C2)n1.
What is the InChIKey of 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is QWMRGLNPHRCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-18-9-4-14(16-18)12-17-8-3-5-15(13-17)6-10-19-11-7-15/h4,9H,2-3,5-8,10-13H2,1H3.
What are the key properties of 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane?
2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 263.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 91829921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).