methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C11H11N3O3 — CID 59461253

IUPACmethyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)n2ncc(C(C)=O)c2n1
InChIInChI=1S/C11H11N3O3/c1-6-4-9(11(16)17-3)13-10-8(7(2)15)5-12-14(6)10/h4-5H,1-3H3
InChIKeySCVRQGIBFSLETH-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.03
Rot. Bonds2

About methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate

methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 59461253) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID59461253
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namemethyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)n2ncc(C(C)=O)c2n1
InChIInChI=1S/C11H11N3O3/c1-6-4-9(11(16)17-3)13-10-8(7(2)15)5-12-14(6)10/h4-5H,1-3H3
InChIKeySCVRQGIBFSLETH-UHFFFAOYSA-N
XLogP1.03
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 59461253) is methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)c1cc(C)n2ncc(C(C)=O)c2n1.
What is the InChIKey of methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is SCVRQGIBFSLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-4-9(11(16)17-3)13-10-8(7(2)15)5-12-14(6)10/h4-5H,1-3H3.
What are the key properties of methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 59461253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).