4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide

C5H8Br2N4O — CID 158784498

IUPAC4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide
SMILESBr.Cn1nc(C(N)=O)c(N)c1Br
InChIInChI=1S/C5H7BrN4O.BrH/c1-10-4(6)2(7)3(9-10)5(8)11;/h7H2,1H3,(H2,8,11);1H
InChIKeyXMLJYWMFQVBZTE-UHFFFAOYSA-N
MW299.95 g/mol
LogP0.44
Rot. Bonds1

About 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide

4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide (PubChem CID 158784498) has the molecular formula C5H8Br2N4O and a molecular weight of 299.95 g/mol. Its IUPAC name is 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide.

Molecular Properties

Compound Name4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide
PubChem CID158784498
Molecular FormulaC5H8Br2N4O
Molecular Weight299.95 g/mol
Exact Mass297.91
IUPAC Name4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide
SMILESBr.Cn1nc(C(N)=O)c(N)c1Br
InChIInChI=1S/C5H7BrN4O.BrH/c1-10-4(6)2(7)3(9-10)5(8)11;/h7H2,1H3,(H2,8,11);1H
InChIKeyXMLJYWMFQVBZTE-UHFFFAOYSA-N
XLogP0.44
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.95
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide 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 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide?
The IUPAC name of 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide (CID 158784498) is 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide.
What is the SMILES notation for 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide?
The canonical SMILES for 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide is Br.Cn1nc(C(N)=O)c(N)c1Br.
What is the InChIKey of 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide?
The InChIKey is XMLJYWMFQVBZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O.BrH/c1-10-4(6)2(7)3(9-10)5(8)11;/h7H2,1H3,(H2,8,11);1H.
What are the key properties of 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide?
4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide has a molecular weight of 299.95 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide is sourced from PubChem (CID 158784498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).