4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole

C16H14F2N2 — CID 166076690

IUPAC4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole
SMILESCc1c(F)cc(-c2ccc(C)c3nn(C)cc23)cc1F
InChIInChI=1S/C16H14F2N2/c1-9-4-5-12(13-8-20(3)19-16(9)13)11-6-14(17)10(2)15(18)7-11/h4-8H,1-3H3
InChIKeyARZLOHGUEVEMPH-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.14
Rot. Bonds1

About 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole

4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole (PubChem CID 166076690) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole
PubChem CID166076690
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole
SMILESCc1c(F)cc(-c2ccc(C)c3nn(C)cc23)cc1F
InChIInChI=1S/C16H14F2N2/c1-9-4-5-12(13-8-20(3)19-16(9)13)11-6-14(17)10(2)15(18)7-11/h4-8H,1-3H3
InChIKeyARZLOHGUEVEMPH-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-(3-fluoro-4-methylphenyl)-2-methylindazole
CID 166076510
4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol
CID 171528499
2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol
CID 171528198
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760346
6,7-difluoro-2,4-dimethylindazole
CID 166076527
4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole
CID 171760643
2,7-dimethyl-4-pyrrolidin-1-ylindazole
CID 167502193
7-chloro-6-fluoro-2,4-dimethylindazole
CID 166076486
5-bromo-4-fluoro-2,7-dimethylindazole;ethane
CID 178051017
5-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole;4-(3,5-difluoro-4-methylphenyl)-1-methylindazole;propane
CID 166076730
2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole
CID 166076432
5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene
CID 59787642

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole?
The IUPAC name of 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole (CID 166076690) is 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole.
What is the SMILES notation for 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole?
The canonical SMILES for 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole is Cc1c(F)cc(-c2ccc(C)c3nn(C)cc23)cc1F.
What is the InChIKey of 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole?
The InChIKey is ARZLOHGUEVEMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-9-4-5-12(13-8-20(3)19-16(9)13)11-6-14(17)10(2)15(18)7-11/h4-8H,1-3H3.
What are the key properties of 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole?
4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole has a molecular weight of 272.30 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole is sourced from PubChem (CID 166076690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).