(1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol

C17H14F3N3O2 — CID 124588606

IUPAC(1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESO[C@@H](Cn1nccc1-c1cccnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-14-5-3-12(4-6-14)16(24)11-23-15(7-9-22-23)13-2-1-8-21-10-13/h1-10,16,24H,11H2/t16-/m0/s1
InChIKeyJKMHLJLPVLLNMH-INIZCTEOSA-N
MW349.31 g/mol
LogP3.58
Rot. Bonds5

About (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol

(1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 124588606) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID124588606
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name(1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESO[C@@H](Cn1nccc1-c1cccnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-14-5-3-12(4-6-14)16(24)11-23-15(7-9-22-23)13-2-1-8-21-10-13/h1-10,16,24H,11H2/t16-/m0/s1
InChIKeyJKMHLJLPVLLNMH-INIZCTEOSA-N
XLogP3.58
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
(1S)-1-(2-chloro-4-fluorophenyl)-2-(5-pyridin-3-ylpyrazol-1-yl)ethanol
CID 124617810
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 25129467
4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol
CID 86815175
1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
CID 109411946
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
(1R)-2-morpholin-4-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 126446750
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7879323
[5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675015
(1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 97312272
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol (CID 124588606) is (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol is O[C@@H](Cn1nccc1-c1cccnc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is JKMHLJLPVLLNMH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)25-14-5-3-12(4-6-14)16(24)11-23-15(7-9-22-23)13-2-1-8-21-10-13/h1-10,16,24H,11H2/t16-/m0/s1.
What are the key properties of (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol?
(1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 349.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 124588606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).