2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione

C20H18ClFN2O2 — CID 67379005

IUPAC2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione
SMILESCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)N2CC(C)(F)CN2C1=O
InChIInChI=1S/C20H18ClFN2O2/c1-12-3-4-14(13-5-7-15(21)8-6-13)9-16(12)17-18(25)23-10-20(2,22)11-24(23)19(17)26/h3-9,17H,10-11H2,1-2H3
InChIKeyOGMGTYVZEPKMRP-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.73
Rot. Bonds2

About 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione

2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione (PubChem CID 67379005) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione
PubChem CID67379005
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione
SMILESCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)N2CC(C)(F)CN2C1=O
InChIInChI=1S/C20H18ClFN2O2/c1-12-3-4-14(13-5-7-15(21)8-6-13)9-16(12)17-18(25)23-10-20(2,22)11-24(23)19(17)26/h3-9,17H,10-11H2,1-2H3
InChIKeyOGMGTYVZEPKMRP-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.73
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 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione?
The IUPAC name of 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione (CID 67379005) is 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione?
The canonical SMILES for 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione is Cc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)N2CC(C)(F)CN2C1=O.
What is the InChIKey of 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione?
The InChIKey is OGMGTYVZEPKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-12-3-4-14(13-5-7-15(21)8-6-13)9-16(12)17-18(25)23-10-20(2,22)11-24(23)19(17)26/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione?
2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione has a molecular weight of 372.83 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-2-methylphenyl]-6-fluoro-6-methyl-5,7-dihydropyrazolo[1,2-a]pyrazole-1,3-dione is sourced from PubChem (CID 67379005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).