1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C14H18F3N3O3 — CID 110156977

IUPAC1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCO[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@]12CCCO2
InChIInChI=1S/C14H18F3N3O3/c1-22-11-7-19(9-13(11)4-2-6-23-13)12(21)8-20-5-3-10(18-20)14(15,16)17/h3,5,11H,2,4,6-9H2,1H3/t11-,13-/m0/s1
InChIKeyNPCSDHPQIUNRLA-AAEUAGOBSA-N
MW333.31 g/mol
LogP1.31
Rot. Bonds3

About 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 110156977) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID110156977
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCO[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@]12CCCO2
InChIInChI=1S/C14H18F3N3O3/c1-22-11-7-19(9-13(11)4-2-6-23-13)12(21)8-20-5-3-10(18-20)14(15,16)17/h3,5,11H,2,4,6-9H2,1H3/t11-,13-/m0/s1
InChIKeyNPCSDHPQIUNRLA-AAEUAGOBSA-N
XLogP1.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone 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-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 9463991
1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 9463995
N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47167737
1-[4-(Oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 75460207
1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 110156976
1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 110159859
1-[4-(Oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 136513172
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-N-(5-oxaspiro[3.4]octan-6-ylmethyl)prop-2-enamide
CID 166424158
(5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 110155794
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110156409
1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110156411
1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110156412

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 110156977) is 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is CO[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@]12CCCO2.
What is the InChIKey of 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is NPCSDHPQIUNRLA-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-22-11-7-19(9-13(11)4-2-6-23-13)12(21)8-20-5-3-10(18-20)14(15,16)17/h3,5,11H,2,4,6-9H2,1H3/t11-,13-/m0/s1.
What are the key properties of 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 333.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 110156977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).