(7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C19H16F2N4O — CID 99741833

IUPAC(7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@@H](NCc2cc(F)ccc2F)n2nc(-c3ccccc3)cc21
InChIInChI=1S/C19H16F2N4O/c20-14-6-7-15(21)13(8-14)10-22-18-11-23-19(26)17-9-16(24-25(17)18)12-4-2-1-3-5-12/h1-9,18,22H,10-11H2,(H,23,26)/t18-/m0/s1
InChIKeyNHNYXHWPWIXPKR-SFHVURJKSA-N
MW354.36 g/mol
LogP2.86
Rot. Bonds4

About (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 99741833) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID99741833
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name(7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@@H](NCc2cc(F)ccc2F)n2nc(-c3ccccc3)cc21
InChIInChI=1S/C19H16F2N4O/c20-14-6-7-15(21)13(8-14)10-22-18-11-23-19(26)17-9-16(24-25(17)18)12-4-2-1-3-5-12/h1-9,18,22H,10-11H2,(H,23,26)/t18-/m0/s1
InChIKeyNHNYXHWPWIXPKR-SFHVURJKSA-N
XLogP2.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 99741833) is (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NC[C@@H](NCc2cc(F)ccc2F)n2nc(-c3ccccc3)cc21.
What is the InChIKey of (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NHNYXHWPWIXPKR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-14-6-7-15(21)13(8-14)10-22-18-11-23-19(26)17-9-16(24-25(17)18)12-4-2-1-3-5-12/h1-9,18,22H,10-11H2,(H,23,26)/t18-/m0/s1.
What are the key properties of (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 354.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 99741833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).