ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C16H15ClN4O2 — CID 2201268

IUPACethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1N
InChIInChI=1S/C16H15ClN4O2/c1-3-23-16(22)12-8-19-15-13(9(2)20-21(15)14(12)18)10-4-6-11(17)7-5-10/h4-8H,3,18H2,1-2H3
InChIKeyNYHHEIWCKFEMGE-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.12
Rot. Bonds3

About ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2201268) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID2201268
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Nameethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1N
InChIInChI=1S/C16H15ClN4O2/c1-3-23-16(22)12-8-19-15-13(9(2)20-21(15)14(12)18)10-4-6-11(17)7-5-10/h4-8H,3,18H2,1-2H3
InChIKeyNYHHEIWCKFEMGE-UHFFFAOYSA-N
XLogP3.12
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 2201268) is ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1N.
What is the InChIKey of ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is NYHHEIWCKFEMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-3-23-16(22)12-8-19-15-13(9(2)20-21(15)14(12)18)10-4-6-11(17)7-5-10/h4-8H,3,18H2,1-2H3.
What are the key properties of ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 330.78 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2201268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).