ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C20H23N3O2 — CID 137481289

IUPACethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)n2nc(C)c(-c3cccc(C)c3)c2n1
InChIInChI=1S/C20H23N3O2/c1-6-25-20(24)16-11-17(12(2)3)23-19(21-16)18(14(5)22-23)15-9-7-8-13(4)10-15/h7-12H,6H2,1-5H3
InChIKeyULJYBXNRATUXQL-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.31
Rot. Bonds4

About ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 137481289) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID137481289
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Nameethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)n2nc(C)c(-c3cccc(C)c3)c2n1
InChIInChI=1S/C20H23N3O2/c1-6-25-20(24)16-11-17(12(2)3)23-19(21-16)18(14(5)22-23)15-9-7-8-13(4)10-15/h7-12H,6H2,1-5H3
InChIKeyULJYBXNRATUXQL-UHFFFAOYSA-N
XLogP4.31
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 137481289) is ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(C(C)C)n2nc(C)c(-c3cccc(C)c3)c2n1.
What is the InChIKey of ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is ULJYBXNRATUXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-6-25-20(24)16-11-17(12(2)3)23-19(21-16)18(14(5)22-23)15-9-7-8-13(4)10-15/h7-12H,6H2,1-5H3.
What are the key properties of ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 137481289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).