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

C13H14FN3 — CID 121385729

IUPAC5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESCN1CCc2cc(F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C13H14FN3/c1-16-4-3-9-5-12(14)11(6-13(9)16)10-7-15-17(2)8-10/h5-8H,3-4H2,1-2H3
InChIKeyIEPQWTOLCLRSGS-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.22
Rot. Bonds1

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

5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole (PubChem CID 121385729) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
PubChem CID121385729
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESCN1CCc2cc(F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C13H14FN3/c1-16-4-3-9-5-12(14)11(6-13(9)16)10-7-15-17(2)8-10/h5-8H,3-4H2,1-2H3
InChIKeyIEPQWTOLCLRSGS-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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Related Compounds

6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385606
tert-butyl 6-fluoro-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole-1-carboxylate
CID 121373471
7-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385724
7-cyclopropyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121372752
1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 121385853
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091659
acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 145091106
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385888
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 145058420

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The IUPAC name of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole (CID 121385729) is 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The canonical SMILES for 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole is CN1CCc2cc(F)c(-c3cnn(C)c3)cc21.
What is the InChIKey of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The InChIKey is IEPQWTOLCLRSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-16-4-3-9-5-12(14)11(6-13(9)16)10-7-15-17(2)8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
5-fluoro-1-methyl-6-(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 5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 121385729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).