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

C10H11N3O3 — CID 131283222

IUPACmethyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(C)c(C)[nH]n2c1=O
InChIInChI=1S/C10H11N3O3/c1-5-6(2)12-13-8(5)11-4-7(9(13)14)10(15)16-3/h4,12H,1-3H3
InChIKeyQEOMARSXLCOKAF-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.43
Rot. Bonds1

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

methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 131283222) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID131283222
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(C)c(C)[nH]n2c1=O
InChIInChI=1S/C10H11N3O3/c1-5-6(2)12-13-8(5)11-4-7(9(13)14)10(15)16-3/h4,12H,1-3H3
InChIKeyQEOMARSXLCOKAF-UHFFFAOYSA-N
XLogP0.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[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

3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 118607699
methyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 75412267
2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 18721912
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 67540522
methyl 3-acetyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 66490149
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
ethyl 3-(3-methoxyphenyl)-7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 66877516
methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 82402887
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 131283222) is methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)c1cnc2c(C)c(C)[nH]n2c1=O.
What is the InChIKey of methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is QEOMARSXLCOKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5-6(2)12-13-8(5)11-4-7(9(13)14)10(15)16-3/h4,12H,1-3H3.
What are the key properties of methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 131283222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).