5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane

C19H23FN2 — CID 166076712

IUPAC5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane
SMILESCCC.Cc1ccc(-c2cc3cn(C)nc3cc2C)cc1F
InChIInChI=1S/C16H15FN2.C3H8/c1-10-4-5-12(8-15(10)17)14-7-13-9-19(3)18-16(13)6-11(14)2;1-3-2/h4-9H,1-3H3;3H2,1-2H3
InChIKeyKZWIKAMDIUEXDP-UHFFFAOYSA-N
MW298.41 g/mol
LogP5.41
Rot. Bonds1

About 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane

5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane (PubChem CID 166076712) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane
PubChem CID166076712
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane
SMILESCCC.Cc1ccc(-c2cc3cn(C)nc3cc2C)cc1F
InChIInChI=1S/C16H15FN2.C3H8/c1-10-4-5-12(8-15(10)17)14-7-13-9-19(3)18-16(13)6-11(14)2;1-3-2/h4-9H,1-3H3;3H2,1-2H3
InChIKeyKZWIKAMDIUEXDP-UHFFFAOYSA-N
XLogP5.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.41
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane
CID 166076580
6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615779
7-fluoro-4-(3-fluoro-4-methylphenyl)-2-methylindazole
CID 166076510
2,6-dimethyl-5-propylindazole
CID 177040666
7,7-dideuterio-6-[[4-(2,6-dimethylindazol-5-yl)-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760594
6-chloro-2,5-dimethylindazole
CID 171662405
1-ethyl-3-(3-fluoro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 79820543
5-fluoro-2-methylindazol-6-amine
CID 117110292
6-fluoro-2-methylindazol-5-amine
CID 118626680
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
CID 121385904
4-[1,5-dimethyl-2-(2-methylindazol-5-yl)pyrrol-3-yl]-2-fluorobenzonitrile
CID 166907779
N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 66007460

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane (CID 166076712) is 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane is CCC.Cc1ccc(-c2cc3cn(C)nc3cc2C)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane?
The InChIKey is KZWIKAMDIUEXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2.C3H8/c1-10-4-5-12(8-15(10)17)14-7-13-9-19(3)18-16(13)6-11(14)2;1-3-2/h4-9H,1-3H3;3H2,1-2H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane?
5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane has a molecular weight of 298.41 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane is sourced from PubChem (CID 166076712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).