5-amino-3-bromo-1-methylpyrazole-4-carbonitrile

C5H5BrN4 — CID 71742322

IUPAC5-amino-3-bromo-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(Br)c(C#N)c1N
InChIInChI=1S/C5H5BrN4/c1-10-5(8)3(2-7)4(6)9-10/h8H2,1H3
InChIKeyOUFJMTOGJSJSLN-UHFFFAOYSA-N
MW201.03 g/mol
LogP0.64
Rot. Bonds

About 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile

5-amino-3-bromo-1-methylpyrazole-4-carbonitrile (PubChem CID 71742322) has the molecular formula C5H5BrN4 and a molecular weight of 201.03 g/mol. Its IUPAC name is 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-bromo-1-methylpyrazole-4-carbonitrile
PubChem CID71742322
Molecular FormulaC5H5BrN4
Molecular Weight201.03 g/mol
Exact Mass199.97
IUPAC Name5-amino-3-bromo-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(Br)c(C#N)c1N
InChIInChI=1S/C5H5BrN4/c1-10-5(8)3(2-7)4(6)9-10/h8H2,1H3
InChIKeyOUFJMTOGJSJSLN-UHFFFAOYSA-N
XLogP0.64
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.03
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile 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 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile (CID 71742322) is 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile is Cn1nc(Br)c(C#N)c1N.
What is the InChIKey of 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile?
The InChIKey is OUFJMTOGJSJSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN4/c1-10-5(8)3(2-7)4(6)9-10/h8H2,1H3.
What are the key properties of 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile?
5-amino-3-bromo-1-methylpyrazole-4-carbonitrile has a molecular weight of 201.03 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 71742322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).