3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine

C12H13BrFN3 — CID 43670812

IUPAC3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(Br)ccc2F)nn(C)c1N
InChIInChI=1S/C12H13BrFN3/c1-3-8-11(16-17(2)12(8)15)9-6-7(13)4-5-10(9)14/h4-6H,3,15H2,1-2H3
InChIKeyVSXBYGPTLUNITI-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.13
Rot. Bonds2

About 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine

3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine (PubChem CID 43670812) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine
PubChem CID43670812
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(Br)ccc2F)nn(C)c1N
InChIInChI=1S/C12H13BrFN3/c1-3-8-11(16-17(2)12(8)15)9-6-7(13)4-5-10(9)14/h4-6H,3,15H2,1-2H3
InChIKeyVSXBYGPTLUNITI-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine 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

3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 114373221
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 53418218
3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 114373232
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine
CID 62218846
5-(5-bromo-2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017562
3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670796
3-(2,3-dimethylphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670733
6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80976858
3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine
CID 79990711
3-(2,4-dimethoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670816
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-propylimidazol-4-amine
CID 63469451

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine (CID 43670812) is 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine is CCc1c(-c2cc(Br)ccc2F)nn(C)c1N.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine?
The InChIKey is VSXBYGPTLUNITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-3-8-11(16-17(2)12(8)15)9-6-7(13)4-5-10(9)14/h4-6H,3,15H2,1-2H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine?
3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine has a molecular weight of 298.16 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 43670812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).