4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride

C9H8BrClFN3 — CID 90482951

IUPAC4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
SMILESCl.Nc1ccc(-n2cc(Br)cn2)c(F)c1
InChIInChI=1S/C9H7BrFN3.ClH/c10-6-4-13-14(5-6)9-2-1-7(12)3-8(9)11;/h1-5H,12H2;1H
InChIKeyVIOUQFKHOXARLP-UHFFFAOYSA-N
MW292.54 g/mol
LogP2.78
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride

4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride (PubChem CID 90482951) has the molecular formula C9H8BrClFN3 and a molecular weight of 292.54 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
PubChem CID90482951
Molecular FormulaC9H8BrClFN3
Molecular Weight292.54 g/mol
Exact Mass290.96
IUPAC Name4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
SMILESCl.Nc1ccc(-n2cc(Br)cn2)c(F)c1
InChIInChI=1S/C9H7BrFN3.ClH/c10-6-4-13-14(5-6)9-2-1-7(12)3-8(9)11;/h1-5H,12H2;1H
InChIKeyVIOUQFKHOXARLP-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride (CID 90482951) is 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride is Cl.Nc1ccc(-n2cc(Br)cn2)c(F)c1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride?
The InChIKey is VIOUQFKHOXARLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3.ClH/c10-6-4-13-14(5-6)9-2-1-7(12)3-8(9)11;/h1-5H,12H2;1H.
What are the key properties of 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride?
4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride has a molecular weight of 292.54 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride is sourced from PubChem (CID 90482951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).