2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol

C19H18F3N3O — CID 135371932

IUPAC2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
SMILESCc1c(-c2ccccc2Nc2cccc(C(F)(F)F)c2)cnn1CCO
InChIInChI=1S/C19H18F3N3O/c1-13-17(12-23-25(13)9-10-26)16-7-2-3-8-18(16)24-15-6-4-5-14(11-15)19(20,21)22/h2-8,11-12,24,26H,9-10H2,1H3
InChIKeyRBATYHNCAULQIG-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.61
Rot. Bonds5

About 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol

2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol (PubChem CID 135371932) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
PubChem CID135371932
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
SMILESCc1c(-c2ccccc2Nc2cccc(C(F)(F)F)c2)cnn1CCO
InChIInChI=1S/C19H18F3N3O/c1-13-17(12-23-25(13)9-10-26)16-7-2-3-8-18(16)24-15-6-4-5-14(11-15)19(20,21)22/h2-8,11-12,24,26H,9-10H2,1H3
InChIKeyRBATYHNCAULQIG-UHFFFAOYSA-N
XLogP4.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol
CID 142468012
2-[4-[2-[3-(trifluoromethyl)anilino]phenyl]triazol-1-yl]ethanol
CID 135372869
ethyl 2-[5-methyl-4-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]pyrazol-1-yl]acetate;2-[5-methyl-4-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]pyrazol-1-yl]ethanol
CID 162001059
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 101233518
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[3-(trifluoromethyl)phenyl]aniline;N-[2-[5-[2-[3-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 158563763
2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269771
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
CID 170512982
2-ethenyl-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine
CID 155344346

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol (CID 135371932) is 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol is Cc1c(-c2ccccc2Nc2cccc(C(F)(F)F)c2)cnn1CCO.
What is the InChIKey of 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
The InChIKey is RBATYHNCAULQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-13-17(12-23-25(13)9-10-26)16-7-2-3-8-18(16)24-15-6-4-5-14(11-15)19(20,21)22/h2-8,11-12,24,26H,9-10H2,1H3.
What are the key properties of 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol has a molecular weight of 361.37 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 135371932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).