3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H18N4O2 — CID 29473324

IUPAC3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H18N4O2/c22-15-17(8-1-2-9-17)19-16(23)20(15)12-13-4-6-14(7-5-13)21-11-3-10-18-21/h3-7,10-11H,1-2,8-9,12H2,(H,19,23)
InChIKeyHZIWLVSJFORTHP-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.24
Rot. Bonds3

About 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 29473324) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID29473324
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H18N4O2/c22-15-17(8-1-2-9-17)19-16(23)20(15)12-13-4-6-14(7-5-13)21-11-3-10-18-21/h3-7,10-11H,1-2,8-9,12H2,(H,19,23)
InChIKeyHZIWLVSJFORTHP-UHFFFAOYSA-N
XLogP2.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione
CID 660311
(5r)-5-[3-(4-Fluorophenyl)-1-Phenyl-1h-Pyrazol-4-Yl]imidazolidine-2,4-Dione
CID 948334
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 118723775
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2-methyl-propanamide
CID 118723777
2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
CID 118723778
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 56682300
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 156360588
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(1H-pyrazol-1-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895811
N-{(1r)-2-(Hydroxyamino)-2-Oxo-1-[4-(1h-Pyrazol-1-Yl)phenyl]ethyl}-2,2-Dimethylpropanamide
CID 86208109
5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 121437853

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 29473324) is 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is HZIWLVSJFORTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-15-17(8-1-2-9-17)19-16(23)20(15)12-13-4-6-14(7-5-13)21-11-3-10-18-21/h3-7,10-11H,1-2,8-9,12H2,(H,19,23).
What are the key properties of 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 310.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrazol-1-ylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 29473324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).