ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate

C11H12ClN3O2 — CID 139330265

IUPACethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C11H12ClN3O2/c1-3-17-11(16)6-8-5-9(12)15-10(13-8)4-7(2)14-15/h4-5H,3,6H2,1-2H3
InChIKeyCGBIQABFHGRTAR-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.80
Rot. Bonds3

About ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate

ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate (PubChem CID 139330265) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
PubChem CID139330265
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Nameethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C11H12ClN3O2/c1-3-17-11(16)6-8-5-9(12)15-10(13-8)4-7(2)14-15/h4-5H,3,6H2,1-2H3
InChIKeyCGBIQABFHGRTAR-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate (CID 139330265) is ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate is CCOC(=O)Cc1cc(Cl)n2nc(C)cc2n1.
What is the InChIKey of ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The InChIKey is CGBIQABFHGRTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-3-17-11(16)6-8-5-9(12)15-10(13-8)4-7(2)14-15/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate?
ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate has a molecular weight of 253.69 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate is sourced from PubChem (CID 139330265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).