ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C12H12BrN3O2 — CID 134430652

IUPACethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)n2nc(Br)cc2n1
InChIInChI=1S/C12H12BrN3O2/c1-2-18-12(17)8-5-9(7-3-4-7)16-11(14-8)6-10(13)15-16/h5-7H,2-4H2,1H3
InChIKeyCRNSKPURWHNQDW-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.55
Rot. Bonds3

About ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 134430652) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID134430652
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Nameethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)n2nc(Br)cc2n1
InChIInChI=1S/C12H12BrN3O2/c1-2-18-12(17)8-5-9(7-3-4-7)16-11(14-8)6-10(13)15-16/h5-7H,2-4H2,1H3
InChIKeyCRNSKPURWHNQDW-UHFFFAOYSA-N
XLogP2.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 134430652) is ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(C2CC2)n2nc(Br)cc2n1.
What is the InChIKey of ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is CRNSKPURWHNQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-2-18-12(17)8-5-9(7-3-4-7)16-11(14-8)6-10(13)15-16/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 310.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 134430652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).