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

C17H17N3O2 — CID 679547

IUPACethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1C
InChIInChI=1S/C17H17N3O2/c1-4-22-17(21)14-10-18-16-9-15(19-20(16)12(14)3)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3
InChIKeyQGNMNEZNBLYHKV-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.19
Rot. Bonds3

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

ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 679547) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID679547
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Nameethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1C
InChIInChI=1S/C17H17N3O2/c1-4-22-17(21)14-10-18-16-9-15(19-20(16)12(14)3)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3
InChIKeyQGNMNEZNBLYHKV-UHFFFAOYSA-N
XLogP3.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 679547) is ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1C.
What is the InChIKey of ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is QGNMNEZNBLYHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-22-17(21)14-10-18-16-9-15(19-20(16)12(14)3)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 679547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).