2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one

C21H18FN3O2 — CID 91913703

IUPAC2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1CCc1ccccc1
InChIInChI=1S/C21H18FN3O2/c22-17-8-6-16(7-9-17)19-18(14-26)20-21(27)24(12-13-25(20)23-19)11-10-15-4-2-1-3-5-15/h1-9,12-13,26H,10-11,14H2
InChIKeyDXNGFFBGNCHQJV-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.04
Rot. Bonds5

About 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one

2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91913703) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91913703
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1CCc1ccccc1
InChIInChI=1S/C21H18FN3O2/c22-17-8-6-16(7-9-17)19-18(14-26)20-21(27)24(12-13-25(20)23-19)11-10-15-4-2-1-3-5-15/h1-9,12-13,26H,10-11,14H2
InChIKeyDXNGFFBGNCHQJV-UHFFFAOYSA-N
XLogP3.04
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 91913703) is 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one is O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1CCc1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DXNGFFBGNCHQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-17-8-6-16(7-9-17)19-18(14-26)20-21(27)24(12-13-25(20)23-19)11-10-15-4-2-1-3-5-15/h1-9,12-13,26H,10-11,14H2.
What are the key properties of 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 363.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91913703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).