4-bromo-1-methylpyrazol-5-amine

C4H6BrN3 — CID 600351

IUPAC4-bromo-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1N
InChIInChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3
InChIKeyODFDZOQJRPDQDF-UHFFFAOYSA-N
MW176.02 g/mol
LogP0.76
Rot. Bonds

About 4-bromo-1-methylpyrazol-5-amine

4-bromo-1-methylpyrazol-5-amine (PubChem CID 600351) has the molecular formula C4H6BrN3 and a molecular weight of 176.02 g/mol. Its IUPAC name is 4-bromo-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-methylpyrazol-5-amine
PubChem CID600351
Molecular FormulaC4H6BrN3
Molecular Weight176.02 g/mol
Exact Mass174.97
IUPAC Name4-bromo-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1N
InChIInChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3
InChIKeyODFDZOQJRPDQDF-UHFFFAOYSA-N
XLogP0.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.02
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-1-methylpyrazol-5-amine (CID 600351) is 4-bromo-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-1-methylpyrazol-5-amine is Cn1ncc(Br)c1N.
What is the InChIKey of 4-bromo-1-methylpyrazol-5-amine?
The InChIKey is ODFDZOQJRPDQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3.
What are the key properties of 4-bromo-1-methylpyrazol-5-amine?
4-bromo-1-methylpyrazol-5-amine has a molecular weight of 176.02 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylpyrazol-5-amine is sourced from PubChem (CID 600351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).