2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H15F3N4O — CID 118575001

IUPAC2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3cc(F)ccc3F)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H15F3N4O/c20-12-1-4-15(5-2-12)25-7-8-26-18(19(25)27)10-14(24-26)11-23-17-9-13(21)3-6-16(17)22/h1-6,9-10,23H,7-8,11H2
InChIKeyZTXDBJIIOQWTAK-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.57
Rot. Bonds4

About 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575001) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575001
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3cc(F)ccc3F)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H15F3N4O/c20-12-1-4-15(5-2-12)25-7-8-26-18(19(25)27)10-14(24-26)11-23-17-9-13(21)3-6-16(17)22/h1-6,9-10,23H,7-8,11H2
InChIKeyZTXDBJIIOQWTAK-UHFFFAOYSA-N
XLogP3.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575001) is 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(CNc3cc(F)ccc3F)nn2CCN1c1ccc(F)cc1.
What is the InChIKey of 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZTXDBJIIOQWTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-12-1-4-15(5-2-12)25-7-8-26-18(19(25)27)10-14(24-26)11-23-17-9-13(21)3-6-16(17)22/h1-6,9-10,23H,7-8,11H2.
What are the key properties of 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 372.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).