7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one

C17H20N4O — CID 126655484

IUPAC7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCCC12CCN(c1ccn(Cc3ccccc3)n1)C2
InChIInChI=1S/C17H20N4O/c22-16-17(7-9-18-16)8-11-20(13-17)15-6-10-21(19-15)12-14-4-2-1-3-5-14/h1-6,10H,7-9,11-13H2,(H,18,22)
InChIKeyPIIDIPGJIYULLX-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.65
Rot. Bonds3

About 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one

7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 126655484) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID126655484
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCCC12CCN(c1ccn(Cc3ccccc3)n1)C2
InChIInChI=1S/C17H20N4O/c22-16-17(7-9-18-16)8-11-20(13-17)15-6-10-21(19-15)12-14-4-2-1-3-5-14/h1-6,10H,7-9,11-13H2,(H,18,22)
InChIKeyPIIDIPGJIYULLX-UHFFFAOYSA-N
XLogP1.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one 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-(1-benzylpyrazol-3-yl)-1,4-diazepan-5-one
CID 126655465
1-(1-benzylpyrazol-3-yl)piperazine
CID 126655369
1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole
CID 126655401
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
4-(1-benzylpyrazol-3-yl)morpholine
CID 126655269
7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118992918
(3S)-1-(1-benzylpyrazol-3-yl)-2,2,4,4,5,5,6,6-octadeuterio-3-methylpiperidin-3-ol
CID 126655637
(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one
CID 97289840
7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 140585780
9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 131649510
(3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol
CID 126678711
(3S,4R)-1-(1-benzylpyrazol-3-yl)-3,4-dimethoxypiperidine
CID 126655537

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 126655484) is 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1NCCC12CCN(c1ccn(Cc3ccccc3)n1)C2.
What is the InChIKey of 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is PIIDIPGJIYULLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-16-17(7-9-18-16)8-11-20(13-17)15-6-10-21(19-15)12-14-4-2-1-3-5-14/h1-6,10H,7-9,11-13H2,(H,18,22).
What are the key properties of 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 296.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 126655484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).