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

C12H13N3O3 — CID 66490149

IUPACmethyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(C(C)=O)c(C)nn2c1C
InChIInChI=1S/C12H13N3O3/c1-6-10(8(3)16)11-13-5-9(12(17)18-4)7(2)15(11)14-6/h5H,1-4H3
InChIKeyOSDQKLBHKNYCJA-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.34
Rot. Bonds2

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

methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 66490149) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID66490149
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(C(C)=O)c(C)nn2c1C
InChIInChI=1S/C12H13N3O3/c1-6-10(8(3)16)11-13-5-9(12(17)18-4)7(2)15(11)14-6/h5H,1-4H3
InChIKeyOSDQKLBHKNYCJA-UHFFFAOYSA-N
XLogP1.34
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 11-hydroxy-4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66490336
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
2-(5-methoxycarbonyl-4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)propanoic acid
CID 66505754
methyl 6-acetyl-4-methylpyridine-3-carboxylate
CID 178165335
methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
CID 155128992
3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496385
methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 84690112
methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate
CID 158388301
methyl 4-methyl-10-oxo-11-propyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66504635
methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28935045
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131283222

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 66490149) is methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)c1cnc2c(C(C)=O)c(C)nn2c1C.
What is the InChIKey of methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is OSDQKLBHKNYCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-6-10(8(3)16)11-13-5-9(12(17)18-4)7(2)15(11)14-6/h5H,1-4H3.
What are the key properties of methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 66490149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).