2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol

C14H16F3N3O — CID 66480146

IUPAC2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
SMILESCc1ccc(C(F)(F)F)cc1NCc1cnn(CCO)c1
InChIInChI=1S/C14H16F3N3O/c1-10-2-3-12(14(15,16)17)6-13(10)18-7-11-8-19-20(9-11)4-5-21/h2-3,6,8-9,18,21H,4-5,7H2,1H3
InChIKeyWOHXRBCSNKXCEU-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.81
Rot. Bonds5

About 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol

2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol (PubChem CID 66480146) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
PubChem CID66480146
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
SMILESCc1ccc(C(F)(F)F)cc1NCc1cnn(CCO)c1
InChIInChI=1S/C14H16F3N3O/c1-10-2-3-12(14(15,16)17)6-13(10)18-7-11-8-19-20(9-11)4-5-21/h2-3,6,8-9,18,21H,4-5,7H2,1H3
InChIKeyWOHXRBCSNKXCEU-UHFFFAOYSA-N
XLogP2.81
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-4-methylbenzenesulfonamide
CID 64830945
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 63036476
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 28600255
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
2-[4-[(2-methyl-4-nitroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829004
4-fluoro-3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]benzoic acid
CID 64829970
2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol (CID 66480146) is 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol is Cc1ccc(C(F)(F)F)cc1NCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is WOHXRBCSNKXCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-10-2-3-12(14(15,16)17)6-13(10)18-7-11-8-19-20(9-11)4-5-21/h2-3,6,8-9,18,21H,4-5,7H2,1H3.
What are the key properties of 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 299.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 66480146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).