4-pyrazol-1-yl-2-(trifluoromethyl)aniline

C10H8F3N3 — CID 16773914

IUPAC4-pyrazol-1-yl-2-(trifluoromethyl)aniline
SMILESNc1ccc(-n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-6-7(2-3-9(8)14)16-5-1-4-15-16/h1-6H,14H2
InChIKeyHRULHPJPZUKSLZ-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.47
Rot. Bonds1

About 4-pyrazol-1-yl-2-(trifluoromethyl)aniline

4-pyrazol-1-yl-2-(trifluoromethyl)aniline (PubChem CID 16773914) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 4-pyrazol-1-yl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-pyrazol-1-yl-2-(trifluoromethyl)aniline
PubChem CID16773914
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name4-pyrazol-1-yl-2-(trifluoromethyl)aniline
SMILESNc1ccc(-n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-6-7(2-3-9(8)14)16-5-1-4-15-16/h1-6H,14H2
InChIKeyHRULHPJPZUKSLZ-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-2-(trifluoromethyl)aniline?
The IUPAC name of 4-pyrazol-1-yl-2-(trifluoromethyl)aniline (CID 16773914) is 4-pyrazol-1-yl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-pyrazol-1-yl-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-pyrazol-1-yl-2-(trifluoromethyl)aniline is Nc1ccc(-n2cccn2)cc1C(F)(F)F.
What is the InChIKey of 4-pyrazol-1-yl-2-(trifluoromethyl)aniline?
The InChIKey is HRULHPJPZUKSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)8-6-7(2-3-9(8)14)16-5-1-4-15-16/h1-6H,14H2.
What are the key properties of 4-pyrazol-1-yl-2-(trifluoromethyl)aniline?
4-pyrazol-1-yl-2-(trifluoromethyl)aniline has a molecular weight of 227.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 16773914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).