ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

C16H15N3O3 — CID 764175

IUPACethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C16H15N3O3/c1-3-22-16(21)12-9-17-14-10(2)13(18-19(14)15(12)20)11-7-5-4-6-8-11/h4-9,18H,3H2,1-2H3
InChIKeyDVXPSCPBKPUDFJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.17
Rot. Bonds3

About ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 764175) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID764175
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C16H15N3O3/c1-3-22-16(21)12-9-17-14-10(2)13(18-19(14)15(12)20)11-7-5-4-6-8-11/h4-9,18H,3H2,1-2H3
InChIKeyDVXPSCPBKPUDFJ-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 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 764175) is ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(C)c(-c3ccccc3)[nH]n2c1=O.
What is the InChIKey of ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is DVXPSCPBKPUDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-22-16(21)12-9-17-14-10(2)13(18-19(14)15(12)20)11-7-5-4-6-8-11/h4-9,18H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-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 3-methyl-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 764175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).