5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole

C18H19FN2 — CID 171760423

IUPAC5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
SMILESCc1cc(-c2ccc(C(C)C)c(F)c2)cc2cn(C)nc12
InChIInChI=1S/C18H19FN2/c1-11(2)16-6-5-13(9-17(16)19)14-7-12(3)18-15(8-14)10-21(4)20-18/h5-11H,1-4H3
InChIKeyGMYZWDONCVISIL-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.81
Rot. Bonds2

About 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole

5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole (PubChem CID 171760423) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole.

Molecular Properties

Compound Name5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
PubChem CID171760423
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
SMILESCc1cc(-c2ccc(C(C)C)c(F)c2)cc2cn(C)nc12
InChIInChI=1S/C18H19FN2/c1-11(2)16-6-5-13(9-17(16)19)14-7-12(3)18-15(8-14)10-21(4)20-18/h5-11H,1-4H3
InChIKeyGMYZWDONCVISIL-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nerispirdine
CID 3081185
1-benzyl-1H-indazole
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3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25113722
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137980
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
2H-Indazole, 2-(3-fluorophenyl)-
CID 3067340
4-(1-indazolyliminomethyl)-N,N-dimethylaniline
CID 6900072
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-(1H-indazol-1-yl)propan-1-amine
CID 16188877
(NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 44587236

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole?
The IUPAC name of 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole (CID 171760423) is 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole.
What is the SMILES notation for 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole?
The canonical SMILES for 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole is Cc1cc(-c2ccc(C(C)C)c(F)c2)cc2cn(C)nc12.
What is the InChIKey of 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole?
The InChIKey is GMYZWDONCVISIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-11(2)16-6-5-13(9-17(16)19)14-7-12(3)18-15(8-14)10-21(4)20-18/h5-11H,1-4H3.
What are the key properties of 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole?
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole has a molecular weight of 282.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole is sourced from PubChem (CID 171760423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).