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

C21H18FN3O3 — CID 91889207

IUPAC2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(C(O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1
InChIInChI=1S/C21H18FN3O3/c1-28-17-8-4-15(5-9-17)20(26)13-24-10-11-25-19(21(24)27)12-18(23-25)14-2-6-16(22)7-3-14/h2-12,20,26H,13H2,1H3
InChIKeyKJYWCEXKFZWIPL-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.04
Rot. Bonds5

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

2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91889207) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91889207
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(C(O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1
InChIInChI=1S/C21H18FN3O3/c1-28-17-8-4-15(5-9-17)20(26)13-24-10-11-25-19(21(24)27)12-18(23-25)14-2-6-16(22)7-3-14/h2-12,20,26H,13H2,1H3
InChIKeyKJYWCEXKFZWIPL-UHFFFAOYSA-N
XLogP3.04
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125125759
2-(4-fluorophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 99743921
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889183
5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125127405
5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889255
5-[(2S)-2-(4-ethoxyphenyl)-2-hydroxyethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126520
5-[(2R)-2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126020
5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889270
5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128543
2-(3-bromophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 125126789
5-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 99743797
5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128815

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 91889207) is 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(C(O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KJYWCEXKFZWIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-28-17-8-4-15(5-9-17)20(26)13-24-10-11-25-19(21(24)27)12-18(23-25)14-2-6-16(22)7-3-14/h2-12,20,26H,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 379.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91889207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).