1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

C15H17F3N2O — CID 105091094

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCCn1nc(C)cc1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O/c1-3-20-13(8-10(2)19-20)14(21)9-11-4-6-12(7-5-11)15(16,17)18/h4-8,14,21H,3,9H2,1-2H3
InChIKeyMIJALBWBDCJKFQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.51
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 105091094) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID105091094
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCCn1nc(C)cc1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O/c1-3-20-13(8-10(2)19-20)14(21)9-11-4-6-12(7-5-11)15(16,17)18/h4-8,14,21H,3,9H2,1-2H3
InChIKeyMIJALBWBDCJKFQ-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105087991
2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105079596
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123659
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115811618
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122915
2-(5-bromo-2-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105086539
2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105118256
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115836029
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 105091094) is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is CCn1nc(C)cc1C(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MIJALBWBDCJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-3-20-13(8-10(2)19-20)14(21)9-11-4-6-12(7-5-11)15(16,17)18/h4-8,14,21H,3,9H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 298.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 105091094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).