(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol

C19H19F4N5O2 — CID 164719409

IUPAC(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1C(O)c1cn(CC2CC2)nn1
InChIInChI=1S/C19H19F4N5O2/c1-10(29)13-6-12(20)4-5-15(13)28-16(7-17(25-28)19(21,22)23)18(30)14-9-27(26-24-14)8-11-2-3-11/h4-7,9-11,18,29-30H,2-3,8H2,1H3/t10-,18?/m1/s1
InChIKeyKKIICXZMBWFEMG-DMPGVRBJSA-N
MW425.39 g/mol
LogP3.17
Rot. Bonds6

About (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol

(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164719409) has the molecular formula C19H19F4N5O2 and a molecular weight of 425.39 g/mol. Its IUPAC name is (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164719409
Molecular FormulaC19H19F4N5O2
Molecular Weight425.39 g/mol
Exact Mass425.15
IUPAC Name(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1C(O)c1cn(CC2CC2)nn1
InChIInChI=1S/C19H19F4N5O2/c1-10(29)13-6-12(20)4-5-15(13)28-16(7-17(25-28)19(21,22)23)18(30)14-9-27(26-24-14)8-11-2-3-11/h4-7,9-11,18,29-30H,2-3,8H2,1H3/t10-,18?/m1/s1
InChIKeyKKIICXZMBWFEMG-DMPGVRBJSA-N
XLogP3.17
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-Fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 62488122
2,2,2-Trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 66742507
(1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 66742508
2,2,2-Trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 66743060
(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 66743061
2,2,2-Trifluoro-1-[2-(3-phenyl-pyrazol-1-yl)-phenyl]-ethanol
CID 66743644
(1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
CID 78941349
2,2,2-Trifluoro-1-[2-(3-trifluoro methyl-pyrazol-1-yl)-phenyl]-ethanol
CID 86621092
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 117952004
(2-Azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol
CID 121293493
(1S)-1-[4-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 126760561
[1-[3-(hydroxymethyl)phenyl]-5-[(1R,2R)-2-[1-(2,2,2-trifluoroethyl)triazol-4-yl]cyclopropyl]pyrazol-4-yl]-methoxymethanol
CID 135135890

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164719409) is (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1C(O)c1cn(CC2CC2)nn1.
What is the InChIKey of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is KKIICXZMBWFEMG-DMPGVRBJSA-N. The full InChI is InChI=1S/C19H19F4N5O2/c1-10(29)13-6-12(20)4-5-15(13)28-16(7-17(25-28)19(21,22)23)18(30)14-9-27(26-24-14)8-11-2-3-11/h4-7,9-11,18,29-30H,2-3,8H2,1H3/t10-,18?/m1/s1.
What are the key properties of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 425.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).