7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C20H18F2N4O — CID 91888520

IUPAC7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3n(n2)C(NCc2cc(F)cc(F)c2)CNC3=O)cc1
InChIInChI=1S/C20H18F2N4O/c1-12-2-4-14(5-3-12)17-9-18-20(27)24-11-19(26(18)25-17)23-10-13-6-15(21)8-16(22)7-13/h2-9,19,23H,10-11H2,1H3,(H,24,27)
InChIKeyOUEQXXQXNJOCKS-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.17
Rot. Bonds4

About 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91888520) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91888520
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3n(n2)C(NCc2cc(F)cc(F)c2)CNC3=O)cc1
InChIInChI=1S/C20H18F2N4O/c1-12-2-4-14(5-3-12)17-9-18-20(27)24-11-19(26(18)25-17)23-10-13-6-15(21)8-16(22)7-13/h2-9,19,23H,10-11H2,1H3,(H,24,27)
InChIKeyOUEQXXQXNJOCKS-UHFFFAOYSA-N
XLogP3.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91888520) is 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cc3n(n2)C(NCc2cc(F)cc(F)c2)CNC3=O)cc1.
What is the InChIKey of 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OUEQXXQXNJOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-12-2-4-14(5-3-12)17-9-18-20(27)24-11-19(26(18)25-17)23-10-13-6-15(21)8-16(22)7-13/h2-9,19,23H,10-11H2,1H3,(H,24,27).
What are the key properties of 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 368.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91888520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).