2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol

C22H23FN2OS — CID 66919344

IUPAC2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)CC(O)c1sccc1C
InChIInChI=1S/C22H23FN2OS/c1-14-8-9-27-21(14)20(26)12-22(3)11-16-13-24-25(19(16)10-15(22)2)18-6-4-17(23)5-7-18/h4-10,13,20,26H,11-12H2,1-3H3
InChIKeyIAEUZCZIJLNYRA-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.47
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol

2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 66919344) has the molecular formula C22H23FN2OS and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
PubChem CID66919344
Molecular FormulaC22H23FN2OS
Molecular Weight382.50 g/mol
Exact Mass382.15
IUPAC Name2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)CC(O)c1sccc1C
InChIInChI=1S/C22H23FN2OS/c1-14-8-9-27-21(14)20(26)12-22(3)11-16-13-24-25(19(16)10-15(22)2)18-6-4-17(23)5-7-18/h4-10,13,20,26H,11-12H2,1-3H3
InChIKeyIAEUZCZIJLNYRA-UHFFFAOYSA-N
XLogP5.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol (CID 66919344) is 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol is CC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)CC(O)c1sccc1C.
What is the InChIKey of 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is IAEUZCZIJLNYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2OS/c1-14-8-9-27-21(14)20(26)12-22(3)11-16-13-24-25(19(16)10-15(22)2)18-6-4-17(23)5-7-18/h4-10,13,20,26H,11-12H2,1-3H3.
What are the key properties of 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol?
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 382.50 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 66919344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).