2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane

C16H27N3O2 — CID 126804343

IUPAC2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
SMILESCCOC1CC2(CCN(Cc3c(C)nn(C)c3OC)C2)C1
InChIInChI=1S/C16H27N3O2/c1-5-21-13-8-16(9-13)6-7-19(11-16)10-14-12(2)17-18(3)15(14)20-4/h13H,5-11H2,1-4H3
InChIKeyBGGGKGSYMOROAY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.13
Rot. Bonds5

About 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane

2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane (PubChem CID 126804343) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
PubChem CID126804343
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
SMILESCCOC1CC2(CCN(Cc3c(C)nn(C)c3OC)C2)C1
InChIInChI=1S/C16H27N3O2/c1-5-21-13-8-16(9-13)6-7-19(11-16)10-14-12(2)17-18(3)15(14)20-4/h13H,5-11H2,1-4H3
InChIKeyBGGGKGSYMOROAY-UHFFFAOYSA-N
XLogP2.13
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane with MolForge

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

Launch Full Analysis

Related Compounds

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781727
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113463461
6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
CID 126807039
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine
CID 86788978
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 95850115
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231308
1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 75470973
6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
CID 97159669
6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
CID 126807038
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232506
[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 3870849
(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 97158804

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane?
The IUPAC name of 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane (CID 126804343) is 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane.
What is the SMILES notation for 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane?
The canonical SMILES for 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane is CCOC1CC2(CCN(Cc3c(C)nn(C)c3OC)C2)C1.
What is the InChIKey of 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane?
The InChIKey is BGGGKGSYMOROAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-21-13-8-16(9-13)6-7-19(11-16)10-14-12(2)17-18(3)15(14)20-4/h13H,5-11H2,1-4H3.
What are the key properties of 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane?
2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane has a molecular weight of 293.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane is sourced from PubChem (CID 126804343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).