2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C21H18FN3O2 — CID 91889183

IUPAC2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C(O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1
InChIInChI=1S/C21H18FN3O2/c1-14-2-4-16(5-3-14)20(26)13-24-10-11-25-19(21(24)27)12-18(23-25)15-6-8-17(22)9-7-15/h2-12,20,26H,13H2,1H3
InChIKeyKXQYGBNPPOVPST-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.34
Rot. Bonds4

About 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91889183) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91889183
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C(O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1
InChIInChI=1S/C21H18FN3O2/c1-14-2-4-16(5-3-14)20(26)13-24-10-11-25-19(21(24)27)12-18(23-25)15-6-8-17(22)9-7-15/h2-12,20,26H,13H2,1H3
InChIKeyKXQYGBNPPOVPST-UHFFFAOYSA-N
XLogP3.34
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 91889183) is 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(C(O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KXQYGBNPPOVPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-14-2-4-16(5-3-14)20(26)13-24-10-11-25-19(21(24)27)12-18(23-25)15-6-8-17(22)9-7-15/h2-12,20,26H,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 363.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91889183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).