2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline

C11H10F3N3 — CID 54961881

IUPAC2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline
SMILESFc1ccc(NCCn2cccn2)c(F)c1F
InChIInChI=1S/C11H10F3N3/c12-8-2-3-9(11(14)10(8)13)15-5-7-17-6-1-4-16-17/h1-4,6,15H,5,7H2
InChIKeyVYMRWBXOTUWEQX-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.41
Rot. Bonds4

About 2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline

2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline (PubChem CID 54961881) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline
PubChem CID54961881
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline
SMILESFc1ccc(NCCn2cccn2)c(F)c1F
InChIInChI=1S/C11H10F3N3/c12-8-2-3-9(11(14)10(8)13)15-5-7-17-6-1-4-16-17/h1-4,6,15H,5,7H2
InChIKeyVYMRWBXOTUWEQX-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-4-(2-pyrazol-1-ylethylamino)benzenecarbothioamide
CID 107934666
2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline
CID 63036481
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491576
5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile
CID 54951839
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280925
4-fluoro-N-(2-pyrazol-1-ylethyl)-1,3-benzothiazol-2-amine
CID 45496459
5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80808338
6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 103867495
2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline?
The IUPAC name of 2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline (CID 54961881) is 2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline?
The canonical SMILES for 2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline is Fc1ccc(NCCn2cccn2)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline?
The InChIKey is VYMRWBXOTUWEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-8-2-3-9(11(14)10(8)13)15-5-7-17-6-1-4-16-17/h1-4,6,15H,5,7H2.
What are the key properties of 2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline?
2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline has a molecular weight of 241.22 g/mol, XLogP of 2.41, 4 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-(2-pyrazol-1-ylethyl)aniline is sourced from PubChem (CID 54961881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).