4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole

C17H17FN2O — CID 166076625

IUPAC4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole
SMILESCOc1ccc(-c2cc(C)c(C)c(F)c2)c2cn(C)nc12
InChIInChI=1S/C17H17FN2O/c1-10-7-12(8-15(18)11(10)2)13-5-6-16(21-4)17-14(13)9-20(3)19-17/h5-9H,1-4H3
InChIKeyQCMWXFGQUIQGEE-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.00
Rot. Bonds2

About 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole

4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole (PubChem CID 166076625) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole.

Molecular Properties

Compound Name4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole
PubChem CID166076625
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole
SMILESCOc1ccc(-c2cc(C)c(C)c(F)c2)c2cn(C)nc12
InChIInChI=1S/C17H17FN2O/c1-10-7-12(8-15(18)11(10)2)13-5-6-16(21-4)17-14(13)9-20(3)19-17/h5-9H,1-4H3
InChIKeyQCMWXFGQUIQGEE-UHFFFAOYSA-N
XLogP4.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole?
The IUPAC name of 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole (CID 166076625) is 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole.
What is the SMILES notation for 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole?
The canonical SMILES for 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole is COc1ccc(-c2cc(C)c(C)c(F)c2)c2cn(C)nc12.
What is the InChIKey of 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole?
The InChIKey is QCMWXFGQUIQGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10-7-12(8-15(18)11(10)2)13-5-6-16(21-4)17-14(13)9-20(3)19-17/h5-9H,1-4H3.
What are the key properties of 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole?
4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole has a molecular weight of 284.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole is sourced from PubChem (CID 166076625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).