2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one

C19H15N3O2 — CID 164572327

IUPAC2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one
SMILESO=c1c2ccc(-c3cn[nH]c3)cc2ccn1Cc1cccc(O)c1
InChIInChI=1S/C19H15N3O2/c23-17-3-1-2-13(8-17)12-22-7-6-15-9-14(16-10-20-21-11-16)4-5-18(15)19(22)24/h1-11,23H,12H2,(H,20,21)
InChIKeyFZKHAGFJSUYSAG-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.15
Rot. Bonds3

About 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one

2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one (PubChem CID 164572327) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one
PubChem CID164572327
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one
SMILESO=c1c2ccc(-c3cn[nH]c3)cc2ccn1Cc1cccc(O)c1
InChIInChI=1S/C19H15N3O2/c23-17-3-1-2-13(8-17)12-22-7-6-15-9-14(16-10-20-21-11-16)4-5-18(15)19(22)24/h1-11,23H,12H2,(H,20,21)
InChIKeyFZKHAGFJSUYSAG-UHFFFAOYSA-N
XLogP3.15
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-6-(4-hydroxyphenyl)isoquinolin-1-one
CID 171782193
2-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)isoquinolin-1-one
CID 164572220
2-benzyl-6-(furan-3-yl)isoquinolin-1-one
CID 171782197
3-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594129
3-[(6-chloro-1-oxoisoquinolin-2-yl)methyl]benzoic acid
CID 93225210
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
CID 59362777
8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594072
2-benzyl-6-bromoisoquinolin-1-one
CID 18963984
3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 164572597
N-(2-fluoro-4-pyridinyl)-3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]benzamide
CID 167403795
3-[(6-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]benzoic acid
CID 167403847
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one (CID 164572327) is 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one is O=c1c2ccc(-c3cn[nH]c3)cc2ccn1Cc1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one?
The InChIKey is FZKHAGFJSUYSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-17-3-1-2-13(8-17)12-22-7-6-15-9-14(16-10-20-21-11-16)4-5-18(15)19(22)24/h1-11,23H,12H2,(H,20,21).
What are the key properties of 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one?
2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one has a molecular weight of 317.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)isoquinolin-1-one is sourced from PubChem (CID 164572327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).