4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole

C16H14F2N2O — CID 166076463

IUPAC4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole
SMILESCOc1ccc(-c2cc(F)c(C)c(F)c2)c2cn(C)nc12
InChIInChI=1S/C16H14F2N2O/c1-9-13(17)6-10(7-14(9)18)11-4-5-15(21-3)16-12(11)8-20(2)19-16/h4-8H,1-3H3
InChIKeyHUESFDQDZUVDFD-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.84
Rot. Bonds2

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

4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole (PubChem CID 166076463) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole
PubChem CID166076463
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole
SMILESCOc1ccc(-c2cc(F)c(C)c(F)c2)c2cn(C)nc12
InChIInChI=1S/C16H14F2N2O/c1-9-13(17)6-10(7-14(9)18)11-4-5-15(21-3)16-12(11)8-20(2)19-16/h4-8H,1-3H3
InChIKeyHUESFDQDZUVDFD-UHFFFAOYSA-N
XLogP3.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole?
The IUPAC name of 4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole (CID 166076463) is 4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole.
What is the SMILES notation for 4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole?
The canonical SMILES for 4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole is COc1ccc(-c2cc(F)c(C)c(F)c2)c2cn(C)nc12.
What is the InChIKey of 4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole?
The InChIKey is HUESFDQDZUVDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-9-13(17)6-10(7-14(9)18)11-4-5-15(21-3)16-12(11)8-20(2)19-16/h4-8H,1-3H3.
What are the key properties of 4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole?
4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole has a molecular weight of 288.30 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methylphenyl)-7-methoxy-2-methylindazole is sourced from PubChem (CID 166076463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).