(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone

C14H21N3O2 — CID 110197962

IUPAC(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1ccnn1C)CC2
InChIInChI=1S/C14H21N3O2/c1-16-11(4-8-15-16)13(18)17-9-6-14(7-10-17)5-3-12(14)19-2/h4,8,12H,3,5-7,9-10H2,1-2H3
InChIKeyTYVGARYDSFXDKK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.45
Rot. Bonds2

About (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone

(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 110197962) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID110197962
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1ccnn1C)CC2
InChIInChI=1S/C14H21N3O2/c1-16-11(4-8-15-16)13(18)17-9-6-14(7-10-17)5-3-12(14)19-2/h4,8,12H,3,5-7,9-10H2,1-2H3
InChIKeyTYVGARYDSFXDKK-UHFFFAOYSA-N
XLogP1.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone 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 (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone (CID 110197962) is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone is COC1CCC12CCN(C(=O)c1ccnn1C)CC2.
What is the InChIKey of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is TYVGARYDSFXDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-11(4-8-15-16)13(18)17-9-6-14(7-10-17)5-3-12(14)19-2/h4,8,12H,3,5-7,9-10H2,1-2H3.
What are the key properties of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone?
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110197962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).