3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole

C21H17FN2O — CID 142683974

IUPAC3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole
SMILESCc1ccc(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)cc1C
InChIInChI=1S/C21H17FN2O/c1-13-7-8-15(11-14(13)2)21-17-10-9-16(12-19(17)23-24-21)25-20-6-4-3-5-18(20)22/h3-12H,1-2H3,(H,23,24)
InChIKeyTXBJPYHCHYCJOY-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.78
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole

3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole (PubChem CID 142683974) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole
PubChem CID142683974
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole
SMILESCc1ccc(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)cc1C
InChIInChI=1S/C21H17FN2O/c1-13-7-8-15(11-14(13)2)21-17-10-9-16(12-19(17)23-24-21)25-20-6-4-3-5-18(20)22/h3-12H,1-2H3,(H,23,24)
InChIKeyTXBJPYHCHYCJOY-UHFFFAOYSA-N
XLogP5.78
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218427
5-[(3-ethyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218423
5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25195330
5-[(3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218422
3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
CID 46861788
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
3-(naphthalen-1-ylmethoxy)-1H-indazole
CID 154487473
N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
CID 21877419
6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645465
6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645466
6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645467
6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645468

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole?
The IUPAC name of 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole (CID 142683974) is 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole?
The canonical SMILES for 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole is Cc1ccc(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole?
The InChIKey is TXBJPYHCHYCJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c1-13-7-8-15(11-14(13)2)21-17-10-9-16(12-19(17)23-24-21)25-20-6-4-3-5-18(20)22/h3-12H,1-2H3,(H,23,24).
What are the key properties of 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole?
3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole has a molecular weight of 332.38 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-6-(2-fluorophenoxy)-1H-indazole is sourced from PubChem (CID 142683974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).