2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

C13H14F3N3O — CID 146597386

IUPAC2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESCOc1ccc(CC(N)c2cn[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O/c1-20-9-4-2-8(3-5-9)6-11(17)10-7-18-19-12(10)13(14,15)16/h2-5,7,11H,6,17H2,1H3,(H,18,19)
InChIKeyJIIWUIAVYNCCPR-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 146597386) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID146597386
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESCOc1ccc(CC(N)c2cn[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O/c1-20-9-4-2-8(3-5-9)6-11(17)10-7-18-19-12(10)13(14,15)16/h2-5,7,11H,6,17H2,1H3,(H,18,19)
InChIKeyJIIWUIAVYNCCPR-UHFFFAOYSA-N
XLogP2.68
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (CID 146597386) is 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is COc1ccc(CC(N)c2cn[nH]c2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is JIIWUIAVYNCCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-20-9-4-2-8(3-5-9)6-11(17)10-7-18-19-12(10)13(14,15)16/h2-5,7,11H,6,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 285.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 146597386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).