ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C18H19N3O3 — CID 2202559

IUPACethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3OC)c(C)nn2c1C
InChIInChI=1S/C18H19N3O3/c1-5-24-18(22)14-10-19-17-16(11(2)20-21(17)12(14)3)13-8-6-7-9-15(13)23-4/h6-10H,5H2,1-4H3
InChIKeySPJLXGLBUHMBBI-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.20
Rot. Bonds4

About ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2202559) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID2202559
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3OC)c(C)nn2c1C
InChIInChI=1S/C18H19N3O3/c1-5-24-18(22)14-10-19-17-16(11(2)20-21(17)12(14)3)13-8-6-7-9-15(13)23-4/h6-10H,5H2,1-4H3
InChIKeySPJLXGLBUHMBBI-UHFFFAOYSA-N
XLogP3.20
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 2202559) is ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccccc3OC)c(C)nn2c1C.
What is the InChIKey of ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is SPJLXGLBUHMBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-5-24-18(22)14-10-19-17-16(11(2)20-21(17)12(14)3)13-8-6-7-9-15(13)23-4/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2202559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).