6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole

C13H14FN3 — CID 121385606

IUPAC6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESCN1CCc2cc(-c3cnn(C)c3)c(F)cc21
InChIInChI=1S/C13H14FN3/c1-16-4-3-9-5-11(12(14)6-13(9)16)10-7-15-17(2)8-10/h5-8H,3-4H2,1-2H3
InChIKeyZMMBCUXLPOSFNO-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.22
Rot. Bonds1

About 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole

6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole (PubChem CID 121385606) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
PubChem CID121385606
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESCN1CCc2cc(-c3cnn(C)c3)c(F)cc21
InChIInChI=1S/C13H14FN3/c1-16-4-3-9-5-11(12(14)6-13(9)16)10-7-15-17(2)8-10/h5-8H,3-4H2,1-2H3
InChIKeyZMMBCUXLPOSFNO-UHFFFAOYSA-N
XLogP2.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The IUPAC name of 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole (CID 121385606) is 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The canonical SMILES for 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole is CN1CCc2cc(-c3cnn(C)c3)c(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The InChIKey is ZMMBCUXLPOSFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-16-4-3-9-5-11(12(14)6-13(9)16)10-7-15-17(2)8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole has a molecular weight of 231.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 121385606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).