ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate

C12H14ClN3O2 — CID 139340699

IUPACethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cc(Cl)n2nc(C)c(C)c2n1
InChIInChI=1S/C12H14ClN3O2/c1-4-18-11(17)6-9-5-10(13)16-12(14-9)7(2)8(3)15-16/h5H,4,6H2,1-3H3
InChIKeyZFMIMIROUPQDKU-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.11
Rot. Bonds3

About ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate

ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate (PubChem CID 139340699) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
PubChem CID139340699
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Nameethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cc(Cl)n2nc(C)c(C)c2n1
InChIInChI=1S/C12H14ClN3O2/c1-4-18-11(17)6-9-5-10(13)16-12(14-9)7(2)8(3)15-16/h5H,4,6H2,1-3H3
InChIKeyZFMIMIROUPQDKU-UHFFFAOYSA-N
XLogP2.11
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.11
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-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate (CID 139340699) is ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate is CCOC(=O)Cc1cc(Cl)n2nc(C)c(C)c2n1.
What is the InChIKey of ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The InChIKey is ZFMIMIROUPQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-4-18-11(17)6-9-5-10(13)16-12(14-9)7(2)8(3)15-16/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate?
ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate has a molecular weight of 267.72 g/mol, XLogP of 2.11, 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-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate is sourced from PubChem (CID 139340699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).