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

C19H18F3N3O — CID 135372391

IUPAC2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1-c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O/c1-13-17(12-25(24-13)10-11-26)16-4-2-3-5-18(16)23-15-8-6-14(7-9-15)19(20,21)22/h2-9,12,23,26H,10-11H2,1H3
InChIKeyATUUTFQTPRNTFA-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.61
Rot. Bonds5

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

2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol (PubChem CID 135372391) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
PubChem CID135372391
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1-c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O/c1-13-17(12-25(24-13)10-11-26)16-4-2-3-5-18(16)23-15-8-6-14(7-9-15)19(20,21)22/h2-9,12,23,26H,10-11H2,1H3
InChIKeyATUUTFQTPRNTFA-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol (CID 135372391) is 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1-c1ccccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
The InChIKey is ATUUTFQTPRNTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-13-17(12-25(24-13)10-11-26)16-4-2-3-5-18(16)23-15-8-6-14(7-9-15)19(20,21)22/h2-9,12,23,26H,10-11H2,1H3.
What are the key properties of 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[2-[4-(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-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 135372391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).