ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H13N3O3 — CID 2816398

IUPACethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(=O)cc(-c3ccccc3)nc12
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)11-9-16-18-13(19)8-12(17-14(11)18)10-6-4-3-5-7-10/h3-9,16H,2H2,1H3
InChIKeyRIFVPBRHBFOIOU-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.87
Rot. Bonds3

About ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 2816398) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID2816398
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(=O)cc(-c3ccccc3)nc12
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)11-9-16-18-13(19)8-12(17-14(11)18)10-6-4-3-5-7-10/h3-9,16H,2H2,1H3
InChIKeyRIFVPBRHBFOIOU-UHFFFAOYSA-N
XLogP1.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 2816398) is ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccccc3)nc12.
What is the InChIKey of ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is RIFVPBRHBFOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-15(20)11-9-16-18-13(19)8-12(17-14(11)18)10-6-4-3-5-7-10/h3-9,16H,2H2,1H3.
What are the key properties of ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 2816398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).