3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C23H22N4O2 — CID 7704876

IUPAC3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H22N4O2/c28-21-23(13-7-8-14-23)24-22(29)26(21)15-18-16-27(19-11-5-2-6-12-19)25-20(18)17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-15H2,(H,24,29)
InChIKeyUKKZAEXEWSDGGB-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.90
Rot. Bonds4

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

3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 7704876) has the molecular formula C23H22N4O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID7704876
Molecular FormulaC23H22N4O2
Molecular Weight386.45 g/mol
Exact Mass386.17
IUPAC Name3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H22N4O2/c28-21-23(13-7-8-14-23)24-22(29)26(21)15-18-16-27(19-11-5-2-6-12-19)25-20(18)17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-15H2,(H,24,29)
InChIKeyUKKZAEXEWSDGGB-UHFFFAOYSA-N
XLogP3.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 7704876) is 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is UKKZAEXEWSDGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-21-23(13-7-8-14-23)24-22(29)26(21)15-18-16-27(19-11-5-2-6-12-19)25-20(18)17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-15H2,(H,24,29).
What are the key properties of 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 386.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 7704876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).