(1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol

C19H19FN2O — CID 175719232

IUPAC(1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-c1ccccc1Cc1ccnn1C
InChIInChI=1S/C19H19FN2O/c1-13(23)19-12-15(20)7-8-18(19)17-6-4-3-5-14(17)11-16-9-10-21-22(16)2/h3-10,12-13,23H,11H2,1-2H3/t13-/m1/s1
InChIKeyQSHUJXTYXXLHPF-CYBMUJFWSA-N
MW310.37 g/mol
LogP3.87
Rot. Bonds4

About (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol

(1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol (PubChem CID 175719232) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol
PubChem CID175719232
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name(1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-c1ccccc1Cc1ccnn1C
InChIInChI=1S/C19H19FN2O/c1-13(23)19-12-15(20)7-8-18(19)17-6-4-3-5-14(17)11-16-9-10-21-22(16)2/h3-10,12-13,23H,11H2,1-2H3/t13-/m1/s1
InChIKeyQSHUJXTYXXLHPF-CYBMUJFWSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(1R)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2,2-dimethylpropan-1-ol
CID 11474124
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-fluorophenyl)ethan-1-ol
CID 9802231
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]pent-4-en-1-ol
CID 9998996
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](4-fluorophenyl)methanol
CID 10000582
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](2-fluorophenyl)methanol
CID 10046928
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-methylphenyl)ethan-1-ol
CID 10319739
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]but-3-en-1-ol
CID 10428095
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](4-fluorophenyl)methanol
CID 10453115
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluorophenyl)methanol
CID 10454007
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluoro-3-methylphenyl)methanol
CID 10454813
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-tert-butylphenyl)ethan-1-ol
CID 10456872

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol (CID 175719232) is (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol is C[C@@H](O)c1cc(F)ccc1-c1ccccc1Cc1ccnn1C.
What is the InChIKey of (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol?
The InChIKey is QSHUJXTYXXLHPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13(23)19-12-15(20)7-8-18(19)17-6-4-3-5-14(17)11-16-9-10-21-22(16)2/h3-10,12-13,23H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol?
(1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol has a molecular weight of 310.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[2-[(2-methylpyrazol-3-yl)methyl]phenyl]phenyl]ethanol is sourced from PubChem (CID 175719232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).