[2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine

C16H13F3N4O — CID 122517023

IUPAC[2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(-c3cn[nH]c3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)14-4-10(7-20)5-15(23-14)24-13-3-1-2-11(6-13)12-8-21-22-9-12/h1-6,8-9H,7,20H2,(H,21,22)
InChIKeyREAYFGLASQTHKB-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.74
Rot. Bonds4

About [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine

[2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 122517023) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID122517023
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name[2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(-c3cn[nH]c3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)14-4-10(7-20)5-15(23-14)24-13-3-1-2-11(6-13)12-8-21-22-9-12/h1-6,8-9H,7,20H2,(H,21,22)
InChIKeyREAYFGLASQTHKB-UHFFFAOYSA-N
XLogP3.74
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine (CID 122517023) is [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1cc(Oc2cccc(-c3cn[nH]c3)c2)nc(C(F)(F)F)c1.
What is the InChIKey of [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is REAYFGLASQTHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)14-4-10(7-20)5-15(23-14)24-13-3-1-2-11(6-13)12-8-21-22-9-12/h1-6,8-9H,7,20H2,(H,21,22).
What are the key properties of [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 334.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1H-pyrazol-4-yl)phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 122517023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).