ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate

C9H8BrN3O2 — CID 45073325

IUPACethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-4-12-13-5-6(10)3-11-8(7)13/h3-5H,2H2,1H3
InChIKeyPZZTXIWJXOMKEU-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.67
Rot. Bonds2

About ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 45073325) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID45073325
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Nameethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-4-12-13-5-6(10)3-11-8(7)13/h3-5H,2H2,1H3
InChIKeyPZZTXIWJXOMKEU-UHFFFAOYSA-N
XLogP1.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 112706669
ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 131697608
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155425580
ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494483
ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494475
6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111432963
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17060258
6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110002377
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 45073325) is ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2cc(Br)cnc12.
What is the InChIKey of ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is PZZTXIWJXOMKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-4-12-13-5-6(10)3-11-8(7)13/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 270.09 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 45073325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).