[1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol

C23H16FN3O — CID 16734038

IUPAC[1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol
SMILESOCc1nn(-c2ccc(F)cc2)c2c1cc(-c1ccccc1)c1cnccc12
InChIInChI=1S/C23H16FN3O/c24-16-6-8-17(9-7-16)27-23-18-10-11-25-13-21(18)19(15-4-2-1-3-5-15)12-20(23)22(14-28)26-27/h1-13,28H,14H2
InChIKeyHLHNRCRFOTVVBG-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.87
Rot. Bonds3

About [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol

[1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol (PubChem CID 16734038) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol
PubChem CID16734038
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name[1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol
SMILESOCc1nn(-c2ccc(F)cc2)c2c1cc(-c1ccccc1)c1cnccc12
InChIInChI=1S/C23H16FN3O/c24-16-6-8-17(9-7-16)27-23-18-10-11-25-13-21(18)19(15-4-2-1-3-5-15)12-20(23)22(14-28)26-27/h1-13,28H,14H2
InChIKeyHLHNRCRFOTVVBG-UHFFFAOYSA-N
XLogP4.87
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol (CID 16734038) is [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol is OCc1nn(-c2ccc(F)cc2)c2c1cc(-c1ccccc1)c1cnccc12.
What is the InChIKey of [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol?
The InChIKey is HLHNRCRFOTVVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-16-6-8-17(9-7-16)27-23-18-10-11-25-13-21(18)19(15-4-2-1-3-5-15)12-20(23)22(14-28)26-27/h1-13,28H,14H2.
What are the key properties of [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol?
[1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol has a molecular weight of 369.40 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methanol is sourced from PubChem (CID 16734038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).