1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one

C20H18FN3O — CID 71540043

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21
InChIInChI=1S/C20H18FN3O/c1-13-17-5-3-4-6-19(17)24(20(13)25)12-15-8-7-14(9-18(15)21)16-10-22-23(2)11-16/h3-11,13H,12H2,1-2H3
InChIKeyKNHQQAUXYVUKEB-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.88
Rot. Bonds3

About 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one (PubChem CID 71540043) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one
PubChem CID71540043
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21
InChIInChI=1S/C20H18FN3O/c1-13-17-5-3-4-6-19(17)24(20(13)25)12-15-8-7-14(9-18(15)21)16-10-22-23(2)11-16/h3-11,13H,12H2,1-2H3
InChIKeyKNHQQAUXYVUKEB-UHFFFAOYSA-N
XLogP3.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one (CID 71540043) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one is CC1C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one?
The InChIKey is KNHQQAUXYVUKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-17-5-3-4-6-19(17)24(20(13)25)12-15-8-7-14(9-18(15)21)16-10-22-23(2)11-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one has a molecular weight of 335.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one is sourced from PubChem (CID 71540043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).