4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide

C5H6Br2N4O — CID 54400652

IUPAC4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NBr)c(N)c1Br
InChIInChI=1S/C5H6Br2N4O/c1-11-4(6)2(8)3(10-11)5(12)9-7/h8H2,1H3,(H,9,12)
InChIKeyVNEQVBQEUYXQAQ-UHFFFAOYSA-N
MW297.94 g/mol
LogP0.80
Rot. Bonds1

About 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide

4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide (PubChem CID 54400652) has the molecular formula C5H6Br2N4O and a molecular weight of 297.94 g/mol. Its IUPAC name is 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide
PubChem CID54400652
Molecular FormulaC5H6Br2N4O
Molecular Weight297.94 g/mol
Exact Mass295.89
IUPAC Name4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NBr)c(N)c1Br
InChIInChI=1S/C5H6Br2N4O/c1-11-4(6)2(8)3(10-11)5(12)9-7/h8H2,1H3,(H,9,12)
InChIKeyVNEQVBQEUYXQAQ-UHFFFAOYSA-N
XLogP0.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.94
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide (CID 54400652) is 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NBr)c(N)c1Br.
What is the InChIKey of 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide?
The InChIKey is VNEQVBQEUYXQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Br2N4O/c1-11-4(6)2(8)3(10-11)5(12)9-7/h8H2,1H3,(H,9,12).
What are the key properties of 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide?
4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide has a molecular weight of 297.94 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 54400652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).