6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane

C18H21FN2 — CID 166076580

IUPAC6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane
SMILESCCC.Cc1ccc(-c2ccc3cn(C)nc3c2)cc1F
InChIInChI=1S/C15H13FN2.C3H8/c1-10-3-4-11(7-14(10)16)12-5-6-13-9-18(2)17-15(13)8-12;1-3-2/h3-9H,1-2H3;3H2,1-2H3
InChIKeyLAABJTPLQYDKNT-UHFFFAOYSA-N
MW284.38 g/mol
LogP5.10
Rot. Bonds1

About 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane

6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane (PubChem CID 166076580) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane
PubChem CID166076580
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane
SMILESCCC.Cc1ccc(-c2ccc3cn(C)nc3c2)cc1F
InChIInChI=1S/C15H13FN2.C3H8/c1-10-3-4-11(7-14(10)16)12-5-6-13-9-18(2)17-15(13)8-12;1-3-2/h3-9H,1-2H3;3H2,1-2H3
InChIKeyLAABJTPLQYDKNT-UHFFFAOYSA-N
XLogP5.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane
CID 166076712
ethane;6-fluoro-2-methylindazole
CID 155591197
7-fluoro-4-(3-fluoro-4-methylphenyl)-2-methylindazole
CID 166076510
2,6-dimethyl-5-propylindazole
CID 177040666
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423
1-ethyl-3-(3-fluoro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 79820543
6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole
CID 170992588
6-chloro-2,5-dimethylindazole
CID 171662405
2-methylindazol-6-amine;dihydrochloride
CID 19354431
ethane;2-methylindazol-6-amine
CID 178017314
5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole
CID 155276309

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane (CID 166076580) is 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane is CCC.Cc1ccc(-c2ccc3cn(C)nc3c2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane?
The InChIKey is LAABJTPLQYDKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2.C3H8/c1-10-3-4-11(7-14(10)16)12-5-6-13-9-18(2)17-15(13)8-12;1-3-2/h3-9H,1-2H3;3H2,1-2H3.
What are the key properties of 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane?
6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane has a molecular weight of 284.38 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane is sourced from PubChem (CID 166076580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).