ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate

C11H12ClN3O2 — CID 114514639

IUPACethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(CC)cc(Cl)n2n1
InChIInChI=1S/C11H12ClN3O2/c1-3-7-5-9(12)15-10(13-7)6-8(14-15)11(16)17-4-2/h5-6H,3-4H2,1-2H3
InChIKeyLYIZMMLYMKCZCP-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.12
Rot. Bonds3

About ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 114514639) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID114514639
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Nameethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(CC)cc(Cl)n2n1
InChIInChI=1S/C11H12ClN3O2/c1-3-7-5-9(12)15-10(13-7)6-8(14-15)11(16)17-4-2/h5-6H,3-4H2,1-2H3
InChIKeyLYIZMMLYMKCZCP-UHFFFAOYSA-N
XLogP2.12
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 114514639) is ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(CC)cc(Cl)n2n1.
What is the InChIKey of ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is LYIZMMLYMKCZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-3-7-5-9(12)15-10(13-7)6-8(14-15)11(16)17-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 253.69 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 114514639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).