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

C27H17FN2O — CID 164608654

IUPAC1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1cc2c3ccccc3cc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C27H17FN2O/c28-20-12-9-18(10-13-20)24-15-19-6-2-3-7-21(19)25-16-23(29-30(24)25)27-22-8-4-1-5-17(22)11-14-26(27)31/h1-16,31H
InChIKeyWJQFZWCHMHRQDM-UHFFFAOYSA-N
MW404.44 g/mol
LogP6.82
Rot. Bonds2

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

1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol (PubChem CID 164608654) has the molecular formula C27H17FN2O and a molecular weight of 404.44 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol
PubChem CID164608654
Molecular FormulaC27H17FN2O
Molecular Weight404.44 g/mol
Exact Mass404.13
IUPAC Name1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1cc2c3ccccc3cc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C27H17FN2O/c28-20-12-9-18(10-13-20)24-15-19-6-2-3-7-21(19)25-16-23(29-30(24)25)27-22-8-4-1-5-17(22)11-14-26(27)31/h1-16,31H
InChIKeyWJQFZWCHMHRQDM-UHFFFAOYSA-N
XLogP6.82
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-Methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
CID 135465491
1-[5-Methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
CID 135465492
2-[1-(2-Fluorophenyl)-5-methyl-pyrazol-3-yl]-4,5-dimethyl-phenol
CID 135465501
2-[5-Methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol
CID 135465502
1-[5-Methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridyl]pyrazol-3-yl]naphthalen-2-ol
CID 135465513
1-(5-Methyl-1-phenyl-pyrazol-3-yl)naphthalen-2-ol
CID 135465490
1-[1-(4-Isopropylphenyl)-5-methyl-pyrazol-3-yl]naphthalen-2-ol
CID 135465499
4,5-Dimethyl-2-(5-methyl-1-phenyl-pyrazol-3-yl)phenol
CID 135465503
2-[1-(4-Isopropylphenyl)-5-methyl-pyrazol-3-yl]naphthalen-1-ol
CID 135465515
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
2-[5-(4-Fluoro-phenyl)-pyrazolo[5,1-a]isoquinolin-2-yl]-phenol
CID 164608635

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol (CID 164608654) is 1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1-c1cc2c3ccccc3cc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of 1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol?
The InChIKey is WJQFZWCHMHRQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN2O/c28-20-12-9-18(10-13-20)24-15-19-6-2-3-7-21(19)25-16-23(29-30(24)25)27-22-8-4-1-5-17(22)11-14-26(27)31/h1-16,31H.
What are the key properties of 1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol?
1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol has a molecular weight of 404.44 g/mol, XLogP of 6.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)pyrazolo[5,1-a]isoquinolin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 164608654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).