3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide

C8H7BrN6 — CID 62684045

IUPAC3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1-n1cc(Br)cn1
InChIInChI=1S/C8H7BrN6/c9-5-3-14-15(4-5)8-6(7(10)11)12-1-2-13-8/h1-4H,(H3,10,11)
InChIKeyJUZIWOXJNPQKER-UHFFFAOYSA-N
MW267.09 g/mol
LogP0.71
Rot. Bonds2

About 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide

3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide (PubChem CID 62684045) has the molecular formula C8H7BrN6 and a molecular weight of 267.09 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide
PubChem CID62684045
Molecular FormulaC8H7BrN6
Molecular Weight267.09 g/mol
Exact Mass265.99
IUPAC Name3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1-n1cc(Br)cn1
InChIInChI=1S/C8H7BrN6/c9-5-3-14-15(4-5)8-6(7(10)11)12-1-2-13-8/h1-4H,(H3,10,11)
InChIKeyJUZIWOXJNPQKER-UHFFFAOYSA-N
XLogP0.71
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide (CID 62684045) is 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1-n1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide?
The InChIKey is JUZIWOXJNPQKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN6/c9-5-3-14-15(4-5)8-6(7(10)11)12-1-2-13-8/h1-4H,(H3,10,11).
What are the key properties of 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide?
3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide has a molecular weight of 267.09 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 62684045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).