ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H11Cl2N3O2 — CID 11198460

IUPACethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccc(Cl)cc3Cl)ccnc12
InChIInChI=1S/C15H11Cl2N3O2/c1-2-22-15(21)11-8-19-20-13(5-6-18-14(11)20)10-4-3-9(16)7-12(10)17/h3-8H,2H2,1H3
InChIKeyZJIFRUHOIFYMIP-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.88
Rot. Bonds3

About ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 11198460) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID11198460
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Nameethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccc(Cl)cc3Cl)ccnc12
InChIInChI=1S/C15H11Cl2N3O2/c1-2-22-15(21)11-8-19-20-13(5-6-18-14(11)20)10-4-3-9(16)7-12(10)17/h3-8H,2H2,1H3
InChIKeyZJIFRUHOIFYMIP-UHFFFAOYSA-N
XLogP3.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 11198460) is ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3ccc(Cl)cc3Cl)ccnc12.
What is the InChIKey of ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ZJIFRUHOIFYMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-2-22-15(21)11-8-19-20-13(5-6-18-14(11)20)10-4-3-9(16)7-12(10)17/h3-8H,2H2,1H3.
What are the key properties of ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 336.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 11198460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).