3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one

C19H16FN3O3 — CID 2953523

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESCc1c(C2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H16FN3O3/c1-11-16(17(24)23(22(11)2)13-6-4-3-5-7-13)19(26)14-10-12(20)8-9-15(14)21-18(19)25/h3-10,26H,1-2H3,(H,21,25)
InChIKeyNCPPLSMWMMYJBL-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.81
Rot. Bonds2

About 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one (PubChem CID 2953523) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
PubChem CID2953523
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESCc1c(C2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H16FN3O3/c1-11-16(17(24)23(22(11)2)13-6-4-3-5-7-13)19(26)14-10-12(20)8-9-15(14)21-18(19)25/h3-10,26H,1-2H3,(H,21,25)
InChIKeyNCPPLSMWMMYJBL-UHFFFAOYSA-N
XLogP1.81
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one (CID 2953523) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one is Cc1c(C2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is NCPPLSMWMMYJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11-16(17(24)23(22(11)2)13-6-4-3-5-7-13)19(26)14-10-12(20)8-9-15(14)21-18(19)25/h3-10,26H,1-2H3,(H,21,25).
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 353.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2953523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).