2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one

C20H18FN3O2 — CID 134439826

IUPAC2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one
SMILESCCc1c(-c2ccc(F)cc2)nn(C)c1N1C(=O)c2ccccc2C1O
InChIInChI=1S/C20H18FN3O2/c1-3-14-17(12-8-10-13(21)11-9-12)22-23(2)18(14)24-19(25)15-6-4-5-7-16(15)20(24)26/h4-11,19,25H,3H2,1-2H3
InChIKeyIDOQSUXQYZZVBQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.44
Rot. Bonds3

About 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one

2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 134439826) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one
PubChem CID134439826
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one
SMILESCCc1c(-c2ccc(F)cc2)nn(C)c1N1C(=O)c2ccccc2C1O
InChIInChI=1S/C20H18FN3O2/c1-3-14-17(12-8-10-13(21)11-9-12)22-23(2)18(14)24-19(25)15-6-4-5-7-16(15)20(24)26/h4-11,19,25H,3H2,1-2H3
InChIKeyIDOQSUXQYZZVBQ-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione
CID 142754077
2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 5309890
(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
CID 102270408
2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 141210836
4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one
CID 10658286
2-[1-(2-cyclopropyl-2-hydroxyethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]isoindole-1,3-dione
CID 142322161
3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
CID 132524924
4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474028
2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 141210941
4-ethyl-5-(4-fluorophenyl)-1-methylpyrazole-3-carbaldehyde
CID 146448044

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one (CID 134439826) is 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one is CCc1c(-c2ccc(F)cc2)nn(C)c1N1C(=O)c2ccccc2C1O.
What is the InChIKey of 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is IDOQSUXQYZZVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-3-14-17(12-8-10-13(21)11-9-12)22-23(2)18(14)24-19(25)15-6-4-5-7-16(15)20(24)26/h4-11,19,25H,3H2,1-2H3.
What are the key properties of 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one?
2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 351.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 134439826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).