2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline

C11H10F3N3 — CID 82866486

IUPAC2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
SMILESCn1ccc(CNc2cc(F)cc(F)c2F)n1
InChIInChI=1S/C11H10F3N3/c1-17-3-2-8(16-17)6-15-10-5-7(12)4-9(13)11(10)14/h2-5,15H,6H2,1H3
InChIKeyJSRXDGUUROWNPP-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.45
Rot. Bonds3

About 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline

2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline (PubChem CID 82866486) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
PubChem CID82866486
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
SMILESCn1ccc(CNc2cc(F)cc(F)c2F)n1
InChIInChI=1S/C11H10F3N3/c1-17-3-2-8(16-17)6-15-10-5-7(12)4-9(13)11(10)14/h2-5,15H,6H2,1H3
InChIKeyJSRXDGUUROWNPP-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64772172
3,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 82873420
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3,5-trifluoroaniline
CID 64801085
2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 19619185
4-chloro-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866817
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trifluoroaniline
CID 83088722
3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 82873151
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
4-iodo-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115909524
2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 55119019
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78920967
2-bromo-3-fluoro-4-[(1-methylpyrazol-3-yl)methylamino]benzenecarbothioamide
CID 107535324

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline (CID 82866486) is 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline is Cn1ccc(CNc2cc(F)cc(F)c2F)n1.
What is the InChIKey of 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is JSRXDGUUROWNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-17-3-2-8(16-17)6-15-10-5-7(12)4-9(13)11(10)14/h2-5,15H,6H2,1H3.
What are the key properties of 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline?
2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 241.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 82866486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).