3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane

C13H21N3O2 — CID 134078389

IUPAC3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
SMILESCOC1COC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C13H21N3O2/c1-15-7-11(6-14-15)8-16-4-3-13(10-16)5-12(17-2)9-18-13/h6-7,12H,3-5,8-10H2,1-2H3
InChIKeyKRFHDQDWARLXIZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.80
Rot. Bonds3

About 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane

3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 134078389) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
PubChem CID134078389
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
SMILESCOC1COC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C13H21N3O2/c1-15-7-11(6-14-15)8-16-4-3-13(10-16)5-12(17-2)9-18-13/h6-7,12H,3-5,8-10H2,1-2H3
InChIKeyKRFHDQDWARLXIZ-UHFFFAOYSA-N
XLogP0.80
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane 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

3-(Methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 131648853
7-[(1-Methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 131652137
3-(Ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 131657659
N-methyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071042
7-Ethoxy-2-[(1-methylpyrazol-4-yl)methyl]-2-azabicyclo[2.2.1]heptane
CID 134073339
N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134078893
1-[(oxolan-2-yl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 59402346
(R)-1-((Tetrahydrofuran-2-yl)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 89894458
1-[[(2S)-oxolan-2-yl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 89895289
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79910319
2,2,5,5-Tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol
CID 79929225
N,N-dimethyl-2-[[(3S)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371182

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane (CID 134078389) is 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane is COC1COC2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is KRFHDQDWARLXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-7-11(6-14-15)8-16-4-3-13(10-16)5-12(17-2)9-18-13/h6-7,12H,3-5,8-10H2,1-2H3.
What are the key properties of 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 251.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 134078389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).