7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C15H25N3O2 — CID 61237773

IUPAC7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCc1c(C)nn(C2CC3(CCC2N)OCCO3)c1C
InChIInChI=1S/C15H25N3O2/c1-4-12-10(2)17-18(11(12)3)14-9-15(6-5-13(14)16)19-7-8-20-15/h13-14H,4-9,16H2,1-3H3
InChIKeyXHKFIPUNEYXKKL-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.86
Rot. Bonds2

About 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 61237773) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID61237773
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCc1c(C)nn(C2CC3(CCC2N)OCCO3)c1C
InChIInChI=1S/C15H25N3O2/c1-4-12-10(2)17-18(11(12)3)14-9-15(6-5-13(14)16)19-7-8-20-15/h13-14H,4-9,16H2,1-3H3
InChIKeyXHKFIPUNEYXKKL-UHFFFAOYSA-N
XLogP1.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine 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 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 61237773) is 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CCc1c(C)nn(C2CC3(CCC2N)OCCO3)c1C.
What is the InChIKey of 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is XHKFIPUNEYXKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-12-10(2)17-18(11(12)3)14-9-15(6-5-13(14)16)19-7-8-20-15/h13-14H,4-9,16H2,1-3H3.
What are the key properties of 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 279.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 61237773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).