ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate

C9H8BrN3O2 — CID 71742950

IUPACethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(Br)nn2cccnc12
InChIInChI=1S/C9H8BrN3O2/c1-2-15-9(14)6-7(10)12-13-5-3-4-11-8(6)13/h3-5H,2H2,1H3
InChIKeyCOIQKGZRCSDZJO-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.67
Rot. Bonds2

About ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 71742950) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID71742950
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Nameethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(Br)nn2cccnc12
InChIInChI=1S/C9H8BrN3O2/c1-2-15-9(14)6-7(10)12-13-5-3-4-11-8(6)13/h3-5H,2H2,1H3
InChIKeyCOIQKGZRCSDZJO-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 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 150498169
ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 156904498
ethyl 2-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 168899835
ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 165166467
diethyl 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19462076
pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86846448
[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 97066011
ethyl 3-bromo-1-(3-chloro-2-pyridinyl)-5-methylpyrazole-4-carboxylate
CID 155213094
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526
ethyl 2-[4-(dimethylsulfamoyl)-2-fluorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 174236384
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55990475

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 71742950) is ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(Br)nn2cccnc12.
What is the InChIKey of ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is COIQKGZRCSDZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-2-15-9(14)6-7(10)12-13-5-3-4-11-8(6)13/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-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 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 71742950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).