1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol

C17H13ClF3N3O — CID 150508686

IUPAC1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol
SMILESOC(Cc1cccc(-n2cccn2)c1)c1cnc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H13ClF3N3O/c18-14-9-16(17(19,20)21)22-10-13(14)15(25)8-11-3-1-4-12(7-11)24-6-2-5-23-24/h1-7,9-10,15,25H,8H2
InChIKeyHZJJNSGUEZGUAV-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.22
Rot. Bonds4

About 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol

1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol (PubChem CID 150508686) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol.

Molecular Properties

Compound Name1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol
PubChem CID150508686
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol
SMILESOC(Cc1cccc(-n2cccn2)c1)c1cnc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H13ClF3N3O/c18-14-9-16(17(19,20)21)22-10-13(14)15(25)8-11-3-1-4-12(7-11)24-6-2-5-23-24/h1-7,9-10,15,25H,8H2
InChIKeyHZJJNSGUEZGUAV-UHFFFAOYSA-N
XLogP4.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-(6-fluoro-pyridin-3-yl)-methanol
CID 44401707
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-(6-fluoro-pyridin-3-yl)-methanol
CID 44401853
{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-6-yl}-methanol
CID 44372296
{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-4-yl}-methanol
CID 44372312
1-(2-chloropyridin-4-yl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888468
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanol
CID 73293373
(alphaR)-4-Chloro-2-(3-methyl-1H-pyrazol-1-yl)-alpha-(trifluoromethyl)benzenemethanol
CID 25210912
{4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-3-yl}-methanol
CID 11078813
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-methanol
CID 740178
(1-Phenyl-3-pyridin-3-yl-1H-pyrazol-4-yl)-methanol
CID 740179
(1-(4-Chlorophenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
CID 3490838
3-(2,4-Dichloro-5-fluorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-4-methanol
CID 3802045

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol?
The IUPAC name of 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol (CID 150508686) is 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol.
What is the SMILES notation for 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol?
The canonical SMILES for 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol is OC(Cc1cccc(-n2cccn2)c1)c1cnc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol?
The InChIKey is HZJJNSGUEZGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c18-14-9-16(17(19,20)21)22-10-13(14)15(25)8-11-3-1-4-12(7-11)24-6-2-5-23-24/h1-7,9-10,15,25H,8H2.
What are the key properties of 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol?
1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol has a molecular weight of 367.76 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(3-pyrazol-1-ylphenyl)ethanol is sourced from PubChem (CID 150508686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).