2-(4-bromopyrazol-1-yl)-N-methylethanamine

C6H10BrN3 — CID 23006103

IUPAC2-(4-bromopyrazol-1-yl)-N-methylethanamine
SMILESCNCCn1cc(Br)cn1
InChIInChI=1S/C6H10BrN3/c1-8-2-3-10-5-6(7)4-9-10/h4-5,8H,2-3H2,1H3
InChIKeyYDNXAWIUQDUQOZ-UHFFFAOYSA-N
MW204.07 g/mol
LogP0.87
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-N-methylethanamine

2-(4-bromopyrazol-1-yl)-N-methylethanamine (PubChem CID 23006103) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-methylethanamine
PubChem CID23006103
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name2-(4-bromopyrazol-1-yl)-N-methylethanamine
SMILESCNCCn1cc(Br)cn1
InChIInChI=1S/C6H10BrN3/c1-8-2-3-10-5-6(7)4-9-10/h4-5,8H,2-3H2,1H3
InChIKeyYDNXAWIUQDUQOZ-UHFFFAOYSA-N
XLogP0.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromopyrazol-1-yl)-N-methylethanamine 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-(4-bromopyrazol-1-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-methylethanamine (CID 23006103) is 2-(4-bromopyrazol-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-methylethanamine is CNCCn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-methylethanamine?
The InChIKey is YDNXAWIUQDUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-8-2-3-10-5-6(7)4-9-10/h4-5,8H,2-3H2,1H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-methylethanamine?
2-(4-bromopyrazol-1-yl)-N-methylethanamine has a molecular weight of 204.07 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-methylethanamine is sourced from PubChem (CID 23006103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).