2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol

C23H15FN2O — CID 164608635

IUPAC2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol
SMILESOc1ccccc1-c1cc2c3ccccc3cc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C23H15FN2O/c24-17-11-9-15(10-12-17)21-13-16-5-1-2-6-18(16)22-14-20(25-26(21)22)19-7-3-4-8-23(19)27/h1-14,27H
InChIKeyKDPCMPJAEMUWDB-UHFFFAOYSA-N
MW354.38 g/mol
LogP5.67
Rot. Bonds2

About 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol

2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol (PubChem CID 164608635) has the molecular formula C23H15FN2O and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol
PubChem CID164608635
Molecular FormulaC23H15FN2O
Molecular Weight354.38 g/mol
Exact Mass354.12
IUPAC Name2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol
SMILESOc1ccccc1-c1cc2c3ccccc3cc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C23H15FN2O/c24-17-11-9-15(10-12-17)21-13-16-5-1-2-6-18(16)22-14-20(25-26(21)22)19-7-3-4-8-23(19)27/h1-14,27H
InChIKeyKDPCMPJAEMUWDB-UHFFFAOYSA-N
XLogP5.67
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-(3-Fluorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135492495
4-(1-(2,5-Difluorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135540483
4-(2-Methoxyphenyl)-1,3-diphenylpyrazolo[4,5-c]quinoline
CID 145974925
2-[1-Phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 4036145
1,3-Diphenyl-5-(o-hydroxyphenyl)pyrazole
CID 135604712
2-[1-Phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
CID 172471536
1-(5-Methyl-1-phenyl-pyrazol-3-yl)naphthalen-2-ol
CID 135465490
9-Fluoro-2,5-bis(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 44138211
9-Fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
CID 101477577
5-Butyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 135061533
5-Cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 135061852
1-[5-(4-Fluorophenyl)-pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol
CID 164608654

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol?
The IUPAC name of 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol (CID 164608635) is 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol.
What is the SMILES notation for 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol?
The canonical SMILES for 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol is Oc1ccccc1-c1cc2c3ccccc3cc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol?
The InChIKey is KDPCMPJAEMUWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O/c24-17-11-9-15(10-12-17)21-13-16-5-1-2-6-18(16)22-14-20(25-26(21)22)19-7-3-4-8-23(19)27/h1-14,27H.
What are the key properties of 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol?
2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol has a molecular weight of 354.38 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]phenol is sourced from PubChem (CID 164608635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).