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

C11H10F3N3 — CID 167459732

IUPAC2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline
SMILESCn1cc(-c2cc(C(F)(F)F)ccc2N)cn1
InChIInChI=1S/C11H10F3N3/c1-17-6-7(5-16-17)9-4-8(11(12,13)14)2-3-10(9)15/h2-6H,15H2,1H3
InChIKeyRYSLAVQTMRZASG-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.69
Rot. Bonds1

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

2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline (PubChem CID 167459732) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline
PubChem CID167459732
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline
SMILESCn1cc(-c2cc(C(F)(F)F)ccc2N)cn1
InChIInChI=1S/C11H10F3N3/c1-17-6-7(5-16-17)9-4-8(11(12,13)14)2-3-10(9)15/h2-6H,15H2,1H3
InChIKeyRYSLAVQTMRZASG-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.69
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 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline (CID 167459732) is 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline is Cn1cc(-c2cc(C(F)(F)F)ccc2N)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline?
The InChIKey is RYSLAVQTMRZASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-17-6-7(5-16-17)9-4-8(11(12,13)14)2-3-10(9)15/h2-6H,15H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline?
2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline has a molecular weight of 241.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 167459732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).