[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine

C12H14BrFN4 — CID 105228625

IUPAC[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(C(Cc2cccc(F)c2Br)NN)n1
InChIInChI=1S/C12H14BrFN4/c1-18-6-5-10(17-18)11(16-15)7-8-3-2-4-9(14)12(8)13/h2-6,11,16H,7,15H2,1H3
InChIKeyGLPRNNASVHIJCD-UHFFFAOYSA-N
MW313.17 g/mol
LogP2.07
Rot. Bonds4

About [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine

[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105228625) has the molecular formula C12H14BrFN4 and a molecular weight of 313.17 g/mol. Its IUPAC name is [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105228625
Molecular FormulaC12H14BrFN4
Molecular Weight313.17 g/mol
Exact Mass312.04
IUPAC Name[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(C(Cc2cccc(F)c2Br)NN)n1
InChIInChI=1S/C12H14BrFN4/c1-18-6-5-10(17-18)11(16-15)7-8-3-2-4-9(14)12(8)13/h2-6,11,16H,7,15H2,1H3
InChIKeyGLPRNNASVHIJCD-UHFFFAOYSA-N
XLogP2.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228693
2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200891
[2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 105267678
[2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260420
[2-(2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228751
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105327015
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228761
[1-(1-methylpyrazol-3-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105228713
[2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105222066
[2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethyl]hydrazine
CID 105327124
[2-(2-bromo-3-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105211530
[2-(2-bromo-3-fluorophenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252067

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine (CID 105228625) is [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine is Cn1ccc(C(Cc2cccc(F)c2Br)NN)n1.
What is the InChIKey of [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is GLPRNNASVHIJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4/c1-18-6-5-10(17-18)11(16-15)7-8-3-2-4-9(14)12(8)13/h2-6,11,16H,7,15H2,1H3.
What are the key properties of [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine?
[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 313.17 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105228625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).