6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C8H6BrN3O — CID 17096149

IUPAC6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1nn2cc(Br)cnc2c1C=O
InChIInChI=1S/C8H6BrN3O/c1-5-7(4-13)8-10-2-6(9)3-12(8)11-5/h2-4H,1H3
InChIKeyUBHLLXKKUAITTO-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.61
Rot. Bonds1

About 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 17096149) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID17096149
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1nn2cc(Br)cnc2c1C=O
InChIInChI=1S/C8H6BrN3O/c1-5-7(4-13)8-10-2-6(9)3-12(8)11-5/h2-4H,1H3
InChIKeyUBHLLXKKUAITTO-UHFFFAOYSA-N
XLogP1.61
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.61
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

2-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 45792526
2-Methyl-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 25581325
Ethyl 6-bromo-2-methylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 13425204
2-Methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 53629150
6-Bromopyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 54593562
3-Bromopyrazolo[1,5-A]pyrimidine-6-carbaldehyde
CID 72207617
3-Bromo-5,6-dimethylpyrazolo[1,5-A]pyrimidine
CID 49761332
3-Bromo-2-methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 83669781
Methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131292946
6-Bromo-2-methylpyrazolo(1,5-a)pyrimidine-3-carbaldehyde hydrochloride
CID 137943524
7-Amino-6-cyano-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2981581
3-Bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 70997038

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 17096149) is 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is Cc1nn2cc(Br)cnc2c1C=O.
What is the InChIKey of 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is UBHLLXKKUAITTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c1-5-7(4-13)8-10-2-6(9)3-12(8)11-5/h2-4H,1H3.
What are the key properties of 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 240.06 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 17096149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).