2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline

C13H14F3N3 — CID 103571325

IUPAC2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(CNc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C13H14F3N3/c1-2-5-19-8-9(7-18-19)6-17-11-4-3-10(14)12(15)13(11)16/h3-4,7-8,17H,2,5-6H2,1H3
InChIKeyPHXFMYSYTHZIHD-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.32
Rot. Bonds5

About 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline

2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline (PubChem CID 103571325) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
PubChem CID103571325
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(CNc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C13H14F3N3/c1-2-5-19-8-9(7-18-19)6-17-11-4-3-10(14)12(15)13(11)16/h3-4,7-8,17H,2,5-6H2,1H3
InChIKeyPHXFMYSYTHZIHD-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]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

4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571404
2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile
CID 103571361
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate
CID 103571443
2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol
CID 103571528
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
2-ethylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571450
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115702920
2-bromo-5-chloro-N-[(1-propylpyrazol-4-yl)methyl]pyridin-3-amine
CID 112749961
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818721
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline (CID 103571325) is 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline is CCCn1cc(CNc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The InChIKey is PHXFMYSYTHZIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-2-5-19-8-9(7-18-19)6-17-11-4-3-10(14)12(15)13(11)16/h3-4,7-8,17H,2,5-6H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline?
2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline has a molecular weight of 269.27 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103571325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).