2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline

C11H10F3N3O2 — CID 126579182

IUPAC2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline
SMILESNc1cccc(C(F)(F)F)c1COc1ccn(O)n1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)8-2-1-3-9(15)7(8)6-19-10-4-5-17(18)16-10/h1-5,18H,6,15H2
InChIKeyXRAJFXMQEHAZGK-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.30
Rot. Bonds3

About 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline

2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline (PubChem CID 126579182) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline
PubChem CID126579182
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline
SMILESNc1cccc(C(F)(F)F)c1COc1ccn(O)n1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)8-2-1-3-9(15)7(8)6-19-10-4-5-17(18)16-10/h1-5,18H,6,15H2
InChIKeyXRAJFXMQEHAZGK-UHFFFAOYSA-N
XLogP2.30
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline 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-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline (CID 126579182) is 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline is Nc1cccc(C(F)(F)F)c1COc1ccn(O)n1.
What is the InChIKey of 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline?
The InChIKey is XRAJFXMQEHAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)8-2-1-3-9(15)7(8)6-19-10-4-5-17(18)16-10/h1-5,18H,6,15H2.
What are the key properties of 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline?
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline has a molecular weight of 273.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 126579182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).