2-(4-bromo-1-methylpyrazol-5-yl)ethanamine

C6H10BrN3 — CID 51341933

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)ethanamine
SMILESCn1ncc(Br)c1CCN
InChIInChI=1S/C6H10BrN3/c1-10-6(2-3-8)5(7)4-9-10/h4H,2-3,8H2,1H3
InChIKeyYYLDZUQDENGWQN-UHFFFAOYSA-N
MW204.07 g/mol
LogP0.68
Rot. Bonds2

About 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine

2-(4-bromo-1-methylpyrazol-5-yl)ethanamine (PubChem CID 51341933) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)ethanamine
PubChem CID51341933
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)ethanamine
SMILESCn1ncc(Br)c1CCN
InChIInChI=1S/C6H10BrN3/c1-10-6(2-3-8)5(7)4-9-10/h4H,2-3,8H2,1H3
InChIKeyYYLDZUQDENGWQN-UHFFFAOYSA-N
XLogP0.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine 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

4-Bromo-1,5-dimethyl-1H-pyrazole
CID 12615417
(4-bromo-1-methyl-1H-pyrazol-3-yl)methanamine
CID 19620698
2-(4-bromo-1-methyl-1H-pyrazol-3-yl)acetonitrile
CID 60136507
3-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole
CID 15287071
alpha,1-Dimethyl-1H-pyrazole-3-methanamine
CID 19616543
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19616958
4-bromo-1-ethyl-5-methyl-1H-pyrazole
CID 25219331
2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine
CID 49757585
3-(1-methyl-1H-pyrazol-5-yl)propan-1-amine
CID 55266680
4-Bromo-5-Ethyl-1-Methyl-1H-Pyrazole
CID 57801631
2-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 60136571
5-(2-bromoethyl)-1-methyl-1H-pyrazole
CID 63963955

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine (CID 51341933) is 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine is Cn1ncc(Br)c1CCN.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is YYLDZUQDENGWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-10-6(2-3-8)5(7)4-9-10/h4H,2-3,8H2,1H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine?
2-(4-bromo-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 204.07 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 51341933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).