2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide

C6H9BrN4O — CID 131089015

IUPAC2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ncc(Br)c1N
InChIInChI=1S/C6H9BrN4O/c1-9-5(12)3-11-6(8)4(7)2-10-11/h2H,3,8H2,1H3,(H,9,12)
InChIKeyAEPAXHHKPSNYCD-UHFFFAOYSA-N
MW233.07 g/mol
LogP-0.03
Rot. Bonds2

About 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide

2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide (PubChem CID 131089015) has the molecular formula C6H9BrN4O and a molecular weight of 233.07 g/mol. Its IUPAC name is 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide
PubChem CID131089015
Molecular FormulaC6H9BrN4O
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ncc(Br)c1N
InChIInChI=1S/C6H9BrN4O/c1-9-5(12)3-11-6(8)4(7)2-10-11/h2H,3,8H2,1H3,(H,9,12)
InChIKeyAEPAXHHKPSNYCD-UHFFFAOYSA-N
XLogP-0.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide (CID 131089015) is 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide is CNC(=O)Cn1ncc(Br)c1N.
What is the InChIKey of 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide?
The InChIKey is AEPAXHHKPSNYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O/c1-9-5(12)3-11-6(8)4(7)2-10-11/h2H,3,8H2,1H3,(H,9,12).
What are the key properties of 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide?
2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide has a molecular weight of 233.07 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 131089015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).