2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine

C7H12BrN3 — CID 83821846

IUPAC2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine
SMILESCCc1[nH]nc(Br)c1CCN
InChIInChI=1S/C7H12BrN3/c1-2-6-5(3-4-9)7(8)11-10-6/h2-4,9H2,1H3,(H,10,11)
InChIKeyMWORWVWDPGYAJN-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.24
Rot. Bonds3

About 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine

2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine (PubChem CID 83821846) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine
PubChem CID83821846
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine
SMILESCCc1[nH]nc(Br)c1CCN
InChIInChI=1S/C7H12BrN3/c1-2-6-5(3-4-9)7(8)11-10-6/h2-4,9H2,1H3,(H,10,11)
InChIKeyMWORWVWDPGYAJN-UHFFFAOYSA-N
XLogP1.24
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5-ethyl-1H-pyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine (CID 83821846) is 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine is CCc1[nH]nc(Br)c1CCN.
What is the InChIKey of 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is MWORWVWDPGYAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-2-6-5(3-4-9)7(8)11-10-6/h2-4,9H2,1H3,(H,10,11).
What are the key properties of 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine?
2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 218.10 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 83821846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).