4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline

C9H6BrClFN3 — CID 116736353

IUPAC4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline
SMILESNc1cc(F)c(Br)cc1-n1cc(Cl)cn1
InChIInChI=1S/C9H6BrClFN3/c10-6-1-9(8(13)2-7(6)12)15-4-5(11)3-14-15/h1-4H,13H2
InChIKeyUGSABFXTADMOCJ-UHFFFAOYSA-N
MW290.52 g/mol
LogP3.01
Rot. Bonds1

About 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline

4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline (PubChem CID 116736353) has the molecular formula C9H6BrClFN3 and a molecular weight of 290.52 g/mol. Its IUPAC name is 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline
PubChem CID116736353
Molecular FormulaC9H6BrClFN3
Molecular Weight290.52 g/mol
Exact Mass288.94
IUPAC Name4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline
SMILESNc1cc(F)c(Br)cc1-n1cc(Cl)cn1
InChIInChI=1S/C9H6BrClFN3/c10-6-1-9(8(13)2-7(6)12)15-4-5(11)3-14-15/h1-4H,13H2
InChIKeyUGSABFXTADMOCJ-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine
CID 103518610
ethyl 1-(2-amino-4-bromo-5-fluorophenyl)pyrazole-4-carboxylate
CID 81497470
5-fluoro-4-methyl-2-(4-phenylpyrazol-1-yl)aniline
CID 103590874
[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methanol
CID 61035650
5-chloro-2-(4-phenylpyrazol-1-yl)aniline
CID 62770426
5-chloro-2-(4-methylpyrazol-1-yl)aniline
CID 19624514
1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667362
4-bromo-2,5-difluoroaniline
CID 2773285
4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
CID 90482951
2-chloro-6-(4-chloropyrazol-1-yl)aniline
CID 84691684
3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide
CID 82999659
(1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol
CID 78941313

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline?
The IUPAC name of 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline (CID 116736353) is 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline.
What is the SMILES notation for 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline?
The canonical SMILES for 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline is Nc1cc(F)c(Br)cc1-n1cc(Cl)cn1.
What is the InChIKey of 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline?
The InChIKey is UGSABFXTADMOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClFN3/c10-6-1-9(8(13)2-7(6)12)15-4-5(11)3-14-15/h1-4H,13H2.
What are the key properties of 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline?
4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline has a molecular weight of 290.52 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline is sourced from PubChem (CID 116736353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).