4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine

C11H13BrFN5 — CID 105231027

IUPAC4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
SMILESNNC(Cc1ccc(Br)cc1F)c1cn[nH]c1N
InChIInChI=1S/C11H13BrFN5/c12-7-2-1-6(9(13)4-7)3-10(17-15)8-5-16-18-11(8)14/h1-2,4-5,10,17H,3,15H2,(H3,14,16,18)
InChIKeyQPAKUGRLPZICTJ-UHFFFAOYSA-N
MW314.16 g/mol
LogP1.64
Rot. Bonds4

About 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine

4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine (PubChem CID 105231027) has the molecular formula C11H13BrFN5 and a molecular weight of 314.16 g/mol. Its IUPAC name is 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
PubChem CID105231027
Molecular FormulaC11H13BrFN5
Molecular Weight314.16 g/mol
Exact Mass313.03
IUPAC Name4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
SMILESNNC(Cc1ccc(Br)cc1F)c1cn[nH]c1N
InChIInChI=1S/C11H13BrFN5/c12-7-2-1-6(9(13)4-7)3-10(17-15)8-5-16-18-11(8)14/h1-2,4-5,10,17H,3,15H2,(H3,14,16,18)
InChIKeyQPAKUGRLPZICTJ-UHFFFAOYSA-N
XLogP1.64
TPSA92.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231120
[2-(4-bromo-2-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 107948139
[2-(4-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105297391
1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 65362157
[2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
CID 102924182
4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231274
4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231023
[2-(4-bromo-2-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105297488
[2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105297343
[1-(4-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280917
[1-(5-bromo-2-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291814
[2-(4-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105297341

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine (CID 105231027) is 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine is NNC(Cc1ccc(Br)cc1F)c1cn[nH]c1N.
What is the InChIKey of 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
The InChIKey is QPAKUGRLPZICTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN5/c12-7-2-1-6(9(13)4-7)3-10(17-15)8-5-16-18-11(8)14/h1-2,4-5,10,17H,3,15H2,(H3,14,16,18).
What are the key properties of 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine has a molecular weight of 314.16 g/mol, XLogP of 1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 105231027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).