2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline

C12H11F4N3 — CID 63036481

IUPAC2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCCn1cccn1
InChIInChI=1S/C12H11F4N3/c13-10-3-2-9(12(14,15)16)8-11(10)17-5-7-19-6-1-4-18-19/h1-4,6,8,17H,5,7H2
InChIKeyALZDTLXQDMRESP-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.15
Rot. Bonds4

About 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline

2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline (PubChem CID 63036481) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline
PubChem CID63036481
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCCn1cccn1
InChIInChI=1S/C12H11F4N3/c13-10-3-2-9(12(14,15)16)8-11(10)17-5-7-19-6-1-4-18-19/h1-4,6,8,17H,5,7H2
InChIKeyALZDTLXQDMRESP-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(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

Related Compounds

2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline
CID 54961881
2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 134698161
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)aniline
CID 82886090
1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
CID 63037530
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
CID 63036135
2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
CID 63462918
N-(3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 112688168
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 63036476
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
2-(2-pyrazol-1-ylethylsulfonyl)-5-(trifluoromethyl)aniline
CID 81176183
N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline (CID 63036481) is 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline is Fc1ccc(C(F)(F)F)cc1NCCn1cccn1.
What is the InChIKey of 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline?
The InChIKey is ALZDTLXQDMRESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c13-10-3-2-9(12(14,15)16)8-11(10)17-5-7-19-6-1-4-18-19/h1-4,6,8,17H,5,7H2.
What are the key properties of 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline?
2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline has a molecular weight of 273.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63036481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).