4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione

C30H22N4O4 — CID 18987

IUPAC4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C1C(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C(=O)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C30H22N4O4/c35-27-25(28(36)32(22-15-7-2-8-16-22)31(27)21-13-5-1-6-14-21)26-29(37)33(23-17-9-3-10-18-23)34(30(26)38)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyUSKAVCMWCUTATL-UHFFFAOYSA-N
MW502.53 g/mol
LogP4.21
Rot. Bonds5

About 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione

4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 18987) has the molecular formula C30H22N4O4 and a molecular weight of 502.53 g/mol. Its IUPAC name is 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione
PubChem CID18987
Molecular FormulaC30H22N4O4
Molecular Weight502.53 g/mol
Exact Mass502.16
IUPAC Name4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C1C(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C(=O)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C30H22N4O4/c35-27-25(28(36)32(22-15-7-2-8-16-22)31(27)21-13-5-1-6-14-21)26-29(37)33(23-17-9-3-10-18-23)34(30(26)38)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyUSKAVCMWCUTATL-UHFFFAOYSA-N
XLogP4.21
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.53
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione (CID 18987) is 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione is O=C1C(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C(=O)N(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is USKAVCMWCUTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O4/c35-27-25(28(36)32(22-15-7-2-8-16-22)31(27)21-13-5-1-6-14-21)26-29(37)33(23-17-9-3-10-18-23)34(30(26)38)24-19-11-4-12-20-24/h1-20,25-26H.
What are the key properties of 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione?
4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 502.53 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 18987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).