ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

C15H13ClN4O2 — CID 879123

IUPACethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1N
InChIInChI=1S/C15H13ClN4O2/c1-2-22-15(21)11-8-18-13-7-12(19-20(13)14(11)17)9-3-5-10(16)6-4-9/h3-8H,2,17H2,1H3
InChIKeyKAMKKCJGLDNCJJ-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.81
Rot. Bonds3

About ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 879123) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID879123
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Nameethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1N
InChIInChI=1S/C15H13ClN4O2/c1-2-22-15(21)11-8-18-13-7-12(19-20(13)14(11)17)9-3-5-10(16)6-4-9/h3-8H,2,17H2,1H3
InChIKeyKAMKKCJGLDNCJJ-UHFFFAOYSA-N
XLogP2.81
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 879123) is ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1N.
What is the InChIKey of ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is KAMKKCJGLDNCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-2-22-15(21)11-8-18-13-7-12(19-20(13)14(11)17)9-3-5-10(16)6-4-9/h3-8H,2,17H2,1H3.
What are the key properties of ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 316.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 879123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).