1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol

C13H13F3N2O2 — CID 66489417

IUPAC1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol
SMILESCc1c(C(C)O)cnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c1-8-12(9(2)19)7-17-18(8)10-3-5-11(6-4-10)20-13(14,15)16/h3-7,9,19H,1-2H3
InChIKeyHODDIAIVXHGSBM-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.13
Rot. Bonds3

About 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol

1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol (PubChem CID 66489417) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol
PubChem CID66489417
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol
SMILESCc1c(C(C)O)cnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c1-8-12(9(2)19)7-17-18(8)10-3-5-11(6-4-10)20-13(14,15)16/h3-7,9,19H,1-2H3
InChIKeyHODDIAIVXHGSBM-UHFFFAOYSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82527913
(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25277206
[1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol
CID 122424160
propan-2-ol;trifluoromethoxybenzene
CID 161029707
5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]triazole
CID 4680396
2-methylpropanoic acid;1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 161225794
3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 158123234
6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one
CID 53418826
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 42955226
2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46383812

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol (CID 66489417) is 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol is Cc1c(C(C)O)cnn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol?
The InChIKey is HODDIAIVXHGSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-8-12(9(2)19)7-17-18(8)10-3-5-11(6-4-10)20-13(14,15)16/h3-7,9,19H,1-2H3.
What are the key properties of 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol?
1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol has a molecular weight of 286.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 66489417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).