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

C16H15N3O3 — CID 655484

IUPACethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C16H15N3O3/c1-3-22-16(21)13-9-15(20)19-14(17-13)8-12(18-19)11-6-4-10(2)5-7-11/h4-9,18H,3H2,1-2H3
InChIKeyZAXGCACNQVTMSL-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.17
Rot. Bonds3

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

ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 655484) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID655484
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C16H15N3O3/c1-3-22-16(21)13-9-15(20)19-14(17-13)8-12(18-19)11-6-4-10(2)5-7-11/h4-9,18H,3H2,1-2H3
InChIKeyZAXGCACNQVTMSL-UHFFFAOYSA-N
XLogP2.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 655484) is ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1.
What is the InChIKey of ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is ZAXGCACNQVTMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-22-16(21)13-9-15(20)19-14(17-13)8-12(18-19)11-6-4-10(2)5-7-11/h4-9,18H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 655484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).