N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine

C19H18F3N3O — CID 59446665

IUPACN-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCNCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H18F3N3O/c1-23-12-17(16-4-2-3-5-18(16)26-19(20,21)22)14-8-6-13(7-9-14)15-10-24-25-11-15/h2-11,17,23H,12H2,1H3,(H,24,25)
InChIKeyBMUARTDXOYIVMY-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.33
Rot. Bonds6

About N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine

N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 59446665) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID59446665
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCNCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H18F3N3O/c1-23-12-17(16-4-2-3-5-18(16)26-19(20,21)22)14-8-6-13(7-9-14)15-10-24-25-11-15/h2-11,17,23H,12H2,1H3,(H,24,25)
InChIKeyBMUARTDXOYIVMY-UHFFFAOYSA-N
XLogP4.33
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine (CID 59446665) is N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine is CNCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is BMUARTDXOYIVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-23-12-17(16-4-2-3-5-18(16)26-19(20,21)22)14-8-6-13(7-9-14)15-10-24-25-11-15/h2-11,17,23H,12H2,1H3,(H,24,25).
What are the key properties of N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine?
N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 361.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 59446665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).