ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C13H15N3O3 — CID 2982698

IUPACethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c(C)c(C(C)=O)cnc12
InChIInChI=1S/C13H15N3O3/c1-5-19-13(18)11-7(2)15-16-8(3)10(9(4)17)6-14-12(11)16/h6H,5H2,1-4H3
InChIKeyAMTHJTLARDOYDR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.73
Rot. Bonds3

About ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 2982698) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID2982698
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c(C)c(C(C)=O)cnc12
InChIInChI=1S/C13H15N3O3/c1-5-19-13(18)11-7(2)15-16-8(3)10(9(4)17)6-14-12(11)16/h6H,5H2,1-4H3
InChIKeyAMTHJTLARDOYDR-UHFFFAOYSA-N
XLogP1.73
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 2982698) is ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(C)nn2c(C)c(C(C)=O)cnc12.
What is the InChIKey of ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is AMTHJTLARDOYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-5-19-13(18)11-7(2)15-16-8(3)10(9(4)17)6-14-12(11)16/h6H,5H2,1-4H3.
What are the key properties of ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 2982698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).