1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol

C14H14ClF3N2O — CID 114644158

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCn1ncc(Cl)c1C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14ClF3N2O/c1-2-20-13(11(15)8-19-20)12(21)7-9-4-3-5-10(6-9)14(16,17)18/h3-6,8,12,21H,2,7H2,1H3
InChIKeyOSJPADHBVOLLAS-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol

1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 114644158) has the molecular formula C14H14ClF3N2O and a molecular weight of 318.73 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID114644158
Molecular FormulaC14H14ClF3N2O
Molecular Weight318.73 g/mol
Exact Mass318.07
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCn1ncc(Cl)c1C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14ClF3N2O/c1-2-20-13(11(15)8-19-20)12(21)7-9-4-3-5-10(6-9)14(16,17)18/h3-6,8,12,21H,2,7H2,1H3
InChIKeyOSJPADHBVOLLAS-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114646443
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115834899
1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644162
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 114644222
3-(dimethylamino)-3-ethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 79058378
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648348
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 114635032
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 114647057
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
4-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 115481025

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol (CID 114644158) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol is CCn1ncc(Cl)c1C(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is OSJPADHBVOLLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O/c1-2-20-13(11(15)8-19-20)12(21)7-9-4-3-5-10(6-9)14(16,17)18/h3-6,8,12,21H,2,7H2,1H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 318.73 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 114644158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).