4-amino-1,2-diphenylpyrazolidine-3,5-dione

C15H13N3O2 — CID 162789664

IUPAC4-amino-1,2-diphenylpyrazolidine-3,5-dione
SMILESNC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C15H13N3O2/c16-13-14(19)17(11-7-3-1-4-8-11)18(15(13)20)12-9-5-2-6-10-12/h1-10,13H,16H2
InChIKeyUCDGZXKJBADHHC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.31
Rot. Bonds2

About 4-amino-1,2-diphenylpyrazolidine-3,5-dione

4-amino-1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 162789664) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-amino-1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-amino-1,2-diphenylpyrazolidine-3,5-dione
PubChem CID162789664
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-amino-1,2-diphenylpyrazolidine-3,5-dione
SMILESNC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C15H13N3O2/c16-13-14(19)17(11-7-3-1-4-8-11)18(15(13)20)12-9-5-2-6-10-12/h1-10,13H,16H2
InChIKeyUCDGZXKJBADHHC-UHFFFAOYSA-N
XLogP1.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione
CID 71334224
1,2,4-triphenyl-5-sulfanylidenepyrazolidin-3-one
CID 3031315
1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
CID 602962
16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
CID 102335192
4-methyl-1,2-diphenyldiazinane-3,6-dione
CID 117066425
1,2-diphenylpyrazolidine-3,4,5-trione
CID 162788375
4-(1-methylsulfanylethyl)-1,2-diphenylpyrazolidine-3,5-dione
CID 21139704
CID 24844231
CID 24844231
3-amino-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
CID 22312383
4-[1-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-3-methylbutyl]-1,2-diphenylpyrazolidine-3,5-dione
CID 162801430
2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-4-oxopentanoic acid
CID 23456900
4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione
CID 12704414

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 4-amino-1,2-diphenylpyrazolidine-3,5-dione (CID 162789664) is 4-amino-1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-amino-1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-amino-1,2-diphenylpyrazolidine-3,5-dione is NC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 4-amino-1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is UCDGZXKJBADHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-13-14(19)17(11-7-3-1-4-8-11)18(15(13)20)12-9-5-2-6-10-12/h1-10,13H,16H2.
What are the key properties of 4-amino-1,2-diphenylpyrazolidine-3,5-dione?
4-amino-1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 267.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 162789664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).