2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline

C12H14FN3 — CID 61224584

IUPAC2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline
SMILESCc1nn(-c2cccc(F)c2N)c(C)c1C
InChIInChI=1S/C12H14FN3/c1-7-8(2)15-16(9(7)3)11-6-4-5-10(13)12(11)14/h4-6H,14H2,1-3H3
InChIKeyCBHPXRVBIDELCY-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.52
Rot. Bonds1

About 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline

2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline (PubChem CID 61224584) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline
PubChem CID61224584
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline
SMILESCc1nn(-c2cccc(F)c2N)c(C)c1C
InChIInChI=1S/C12H14FN3/c1-7-8(2)15-16(9(7)3)11-6-4-5-10(13)12(11)14/h4-6H,14H2,1-3H3
InChIKeyCBHPXRVBIDELCY-UHFFFAOYSA-N
XLogP2.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)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-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline (CID 61224584) is 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline is Cc1nn(-c2cccc(F)c2N)c(C)c1C.
What is the InChIKey of 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline?
The InChIKey is CBHPXRVBIDELCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-7-8(2)15-16(9(7)3)11-6-4-5-10(13)12(11)14/h4-6H,14H2,1-3H3.
What are the key properties of 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline?
2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline has a molecular weight of 219.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline is sourced from PubChem (CID 61224584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).