[(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol

C19H19FN2O — CID 58980180

IUPAC[(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol
SMILESC[C@]1(CO)CCCc2cc3c(cnn3-c3ccc(F)cc3)cc21
InChIInChI=1S/C19H19FN2O/c1-19(12-23)8-2-3-13-10-18-14(9-17(13)19)11-21-22(18)16-6-4-15(20)5-7-16/h4-7,9-11,23H,2-3,8,12H2,1H3/t19-/m1/s1
InChIKeyRSTHRKJVGDBFCF-LJQANCHMSA-N
MW310.37 g/mol
LogP3.75
Rot. Bonds2

About [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol

[(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol (PubChem CID 58980180) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol
PubChem CID58980180
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name[(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol
SMILESC[C@]1(CO)CCCc2cc3c(cnn3-c3ccc(F)cc3)cc21
InChIInChI=1S/C19H19FN2O/c1-19(12-23)8-2-3-13-10-18-14(9-17(13)19)11-21-22(18)16-6-4-15(20)5-7-16/h4-7,9-11,23H,2-3,8,12H2,1H3/t19-/m1/s1
InChIKeyRSTHRKJVGDBFCF-LJQANCHMSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol?
The IUPAC name of [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol (CID 58980180) is [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol.
What is the SMILES notation for [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol?
The canonical SMILES for [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol is C[C@]1(CO)CCCc2cc3c(cnn3-c3ccc(F)cc3)cc21.
What is the InChIKey of [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol?
The InChIKey is RSTHRKJVGDBFCF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-19(12-23)8-2-3-13-10-18-14(9-17(13)19)11-21-22(18)16-6-4-15(20)5-7-16/h4-7,9-11,23H,2-3,8,12H2,1H3/t19-/m1/s1.
What are the key properties of [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol?
[(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol has a molecular weight of 310.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol is sourced from PubChem (CID 58980180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).