ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate

C9H7BrFN3O2 — CID 118679621

IUPACethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2cc(F)cnc2c1Br
InChIInChI=1S/C9H7BrFN3O2/c1-2-16-9(15)7-6(10)8-12-3-5(11)4-14(8)13-7/h3-4H,2H2,1H3
InChIKeyNZTMROKHUPYKDO-UHFFFAOYSA-N
MW288.08 g/mol
LogP1.81
Rot. Bonds2

About ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 118679621) has the molecular formula C9H7BrFN3O2 and a molecular weight of 288.08 g/mol. Its IUPAC name is ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID118679621
Molecular FormulaC9H7BrFN3O2
Molecular Weight288.08 g/mol
Exact Mass286.97
IUPAC Nameethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2cc(F)cnc2c1Br
InChIInChI=1S/C9H7BrFN3O2/c1-2-16-9(15)7-6(10)8-12-3-5(11)4-14(8)13-7/h3-4H,2H2,1H3
InChIKeyNZTMROKHUPYKDO-UHFFFAOYSA-N
XLogP1.81
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131389867
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 4-bromo-5-ethoxy-1-methylpyrazole-3-carboxylate
CID 164538576
ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 126763838
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 6-fluoroimidazo[1,5-a]pyridine-1-carboxylate
CID 155920991
ethyl 4-bromo-1-(3,4-difluorophenyl)pyrazole-3-carboxylate
CID 89464890
ethyl 5-fluoro-1H-imidazole-4-carboxylate
CID 158522577
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 118286898
ethyl 4-bromo-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 162639246
ethyl 3-bromopyrazine-2-carboxylate
CID 91884522

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 118679621) is ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1nn2cc(F)cnc2c1Br.
What is the InChIKey of ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is NZTMROKHUPYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O2/c1-2-16-9(15)7-6(10)8-12-3-5(11)4-14(8)13-7/h3-4H,2H2,1H3.
What are the key properties of ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 288.08 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 118679621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).