methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate

C11H12N4O4 — CID 110485755

IUPACmethyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C11H12N4O4/c1-6-3-8(16)15-10(14-6)7(4-13-15)11(18)12-5-9(17)19-2/h3-4,13H,5H2,1-2H3,(H,12,18)
InChIKeyRGZPKVXAODTKNS-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.77
Rot. Bonds3

About methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate

methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate (PubChem CID 110485755) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate
PubChem CID110485755
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Namemethyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C11H12N4O4/c1-6-3-8(16)15-10(14-6)7(4-13-15)11(18)12-5-9(17)19-2/h3-4,13H,5H2,1-2H3,(H,12,18)
InChIKeyRGZPKVXAODTKNS-UHFFFAOYSA-N
XLogP-0.77
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate (CID 110485755) is methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1c[nH]n2c(=O)cc(C)nc12.
What is the InChIKey of methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate?
The InChIKey is RGZPKVXAODTKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-6-3-8(16)15-10(14-6)7(4-13-15)11(18)12-5-9(17)19-2/h3-4,13H,5H2,1-2H3,(H,12,18).
What are the key properties of methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate?
methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate has a molecular weight of 264.24 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetate is sourced from PubChem (CID 110485755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).