ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate

C17H16ClN3O2 — CID 66964174

IUPACethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
SMILESCCOC(=O)C(C)c1ccnc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C17H16ClN3O2/c1-3-23-17(22)11(2)15-8-9-19-16-14(10-20-21(15)16)12-4-6-13(18)7-5-12/h4-11H,3H2,1-2H3
InChIKeyBOXWOZZJLLOCEA-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.72
Rot. Bonds4

About ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate

ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate (PubChem CID 66964174) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
PubChem CID66964174
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Nameethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
SMILESCCOC(=O)C(C)c1ccnc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C17H16ClN3O2/c1-3-23-17(22)11(2)15-8-9-19-16-14(10-20-21(15)16)12-4-6-13(18)7-5-12/h4-11H,3H2,1-2H3
InChIKeyBOXWOZZJLLOCEA-UHFFFAOYSA-N
XLogP3.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate?
The IUPAC name of ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate (CID 66964174) is ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate.
What is the SMILES notation for ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate?
The canonical SMILES for ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate is CCOC(=O)C(C)c1ccnc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate?
The InChIKey is BOXWOZZJLLOCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-3-23-17(22)11(2)15-8-9-19-16-14(10-20-21(15)16)12-4-6-13(18)7-5-12/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate?
ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate has a molecular weight of 329.79 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate is sourced from PubChem (CID 66964174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).