2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol

C22H23FN2O — CID 15605439

IUPAC2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol
SMILESC[C@@]1(CC(O)c2ccccc2)CCc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O/c1-22(14-21(26)16-5-3-2-4-6-16)12-11-20-17(13-22)15-24-25(20)19-9-7-18(23)8-10-19/h2-10,15,21,26H,11-14H2,1H3/t21?,22-/m1/s1
InChIKeyPSFBLNNRFDHPJN-FOIFJWKZSA-N
MW350.44 g/mol
LogP4.63
Rot. Bonds4

About 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol

2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol (PubChem CID 15605439) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol
PubChem CID15605439
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol
SMILESC[C@@]1(CC(O)c2ccccc2)CCc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O/c1-22(14-21(26)16-5-3-2-4-6-16)12-11-20-17(13-22)15-24-25(20)19-9-7-18(23)8-10-19/h2-10,15,21,26H,11-14H2,1H3/t21?,22-/m1/s1
InChIKeyPSFBLNNRFDHPJN-FOIFJWKZSA-N
XLogP4.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol?
The IUPAC name of 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol (CID 15605439) is 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol.
What is the SMILES notation for 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol?
The canonical SMILES for 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol is C[C@@]1(CC(O)c2ccccc2)CCc2c(cnn2-c2ccc(F)cc2)C1.
What is the InChIKey of 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol?
The InChIKey is PSFBLNNRFDHPJN-FOIFJWKZSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-22(14-21(26)16-5-3-2-4-6-16)12-11-20-17(13-22)15-24-25(20)19-9-7-18(23)8-10-19/h2-10,15,21,26H,11-14H2,1H3/t21?,22-/m1/s1.
What are the key properties of 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol?
2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol has a molecular weight of 350.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol is sourced from PubChem (CID 15605439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).