6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde

C7H4BrN3O — CID 164559883

IUPAC6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESO=Cc1cnn2cc(Br)ncc12
InChIInChI=1S/C7H4BrN3O/c8-7-3-11-6(2-9-7)5(4-12)1-10-11/h1-4H
InChIKeyVWRMSHMDKZUTRI-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.30
Rot. Bonds1

About 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde

6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde (PubChem CID 164559883) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde
PubChem CID164559883
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESO=Cc1cnn2cc(Br)ncc12
InChIInChI=1S/C7H4BrN3O/c8-7-3-11-6(2-9-7)5(4-12)1-10-11/h1-4H
InChIKeyVWRMSHMDKZUTRI-UHFFFAOYSA-N
XLogP1.30
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile
CID 164558977
3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 105435034
7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167725185
3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 59476245
7-bromo-5-methoxypyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 83488501
3-formylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 25171438
4-bromo-1-methylindazole-5-carbaldehyde
CID 117109426
N-(3-formylpyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 89029718
3-bromopyrazolo[1,5-a]pyridine-5-carbaldehyde
CID 131491052
3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621790
6-bromo-1-hexa-2,4-dien-3-ylsulfonylpyrrolo[3,2-c]pyridine-3-carbaldehyde
CID 123400016
(2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
CID 143854039

Frequently Asked Questions

What is the IUPAC name of 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The IUPAC name of 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde (CID 164559883) is 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde is O=Cc1cnn2cc(Br)ncc12.
What is the InChIKey of 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The InChIKey is VWRMSHMDKZUTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-7-3-11-6(2-9-7)5(4-12)1-10-11/h1-4H.
What are the key properties of 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde?
6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde has a molecular weight of 226.03 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 164559883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).