9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

C15H25N3O2 — CID 86791613

IUPAC9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCCn1nc(C)c(CN2CCCC3(C2)OCCO3)c1C
InChIInChI=1S/C15H25N3O2/c1-4-18-13(3)14(12(2)16-18)10-17-7-5-6-15(11-17)19-8-9-20-15/h4-11H2,1-3H3
InChIKeyHQFRZEHANLYMFM-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.86
Rot. Bonds3

About 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 86791613) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID86791613
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCCn1nc(C)c(CN2CCCC3(C2)OCCO3)c1C
InChIInChI=1S/C15H25N3O2/c1-4-18-13(3)14(12(2)16-18)10-17-7-5-6-15(11-17)19-8-9-20-15/h4-11H2,1-3H3
InChIKeyHQFRZEHANLYMFM-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 86791613) is 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is CCn1nc(C)c(CN2CCCC3(C2)OCCO3)c1C.
What is the InChIKey of 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is HQFRZEHANLYMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-18-13(3)14(12(2)16-18)10-17-7-5-6-15(11-17)19-8-9-20-15/h4-11H2,1-3H3.
What are the key properties of 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 279.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 86791613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).