4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione

C20H20N2O2 — CID 12704414

IUPAC4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione
SMILESCC1CC1CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2/c1-14-12-15(14)13-18-19(23)21(16-8-4-2-5-9-16)22(20(18)24)17-10-6-3-7-11-17/h2-11,14-15,18H,12-13H2,1H3
InChIKeyTXIYVDWADDOQJW-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.64
Rot. Bonds4

About 4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione

4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 12704414) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione
PubChem CID12704414
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione
SMILESCC1CC1CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2/c1-14-12-15(14)13-18-19(23)21(16-8-4-2-5-9-16)22(20(18)24)17-10-6-3-7-11-17/h2-11,14-15,18H,12-13H2,1H3
InChIKeyTXIYVDWADDOQJW-UHFFFAOYSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione (CID 12704414) is 4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione is CC1CC1CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is TXIYVDWADDOQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-12-15(14)13-18-19(23)21(16-8-4-2-5-9-16)22(20(18)24)17-10-6-3-7-11-17/h2-11,14-15,18H,12-13H2,1H3.
What are the key properties of 4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione?
4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 320.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 12704414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).