11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane

C15H25N3O2 — CID 86788949

IUPAC11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
SMILESCCn1nccc1CN1CCOCC2(CCOCC2)C1
InChIInChI=1S/C15H25N3O2/c1-2-18-14(3-6-16-18)11-17-7-10-20-13-15(12-17)4-8-19-9-5-15/h3,6H,2,4-5,7-13H2,1H3
InChIKeyPMUIGDFOWGAXOB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.53
Rot. Bonds3

About 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane

11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane (PubChem CID 86788949) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
PubChem CID86788949
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
SMILESCCn1nccc1CN1CCOCC2(CCOCC2)C1
InChIInChI=1S/C15H25N3O2/c1-2-18-14(3-6-16-18)11-17-7-10-20-13-15(12-17)4-8-19-9-5-15/h3,6H,2,4-5,7-13H2,1H3
InChIKeyPMUIGDFOWGAXOB-UHFFFAOYSA-N
XLogP1.53
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane (CID 86788949) is 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane is CCn1nccc1CN1CCOCC2(CCOCC2)C1.
What is the InChIKey of 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
The InChIKey is PMUIGDFOWGAXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-18-14(3-6-16-18)11-17-7-10-20-13-15(12-17)4-8-19-9-5-15/h3,6H,2,4-5,7-13H2,1H3.
What are the key properties of 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane has a molecular weight of 279.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-ethylpyrazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 86788949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).