methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate

C13H17N3O3 — CID 67258474

IUPACmethyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCCc1cc2nc(C)c(CC(=O)OC)c(=O)n2[nH]1
InChIInChI=1S/C13H17N3O3/c1-4-5-9-6-11-14-8(2)10(7-12(17)19-3)13(18)16(11)15-9/h6,15H,4-5,7H2,1-3H3
InChIKeySJTKLPKGLCZRSP-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.00
Rot. Bonds4

About methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate

methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 67258474) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID67258474
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCCc1cc2nc(C)c(CC(=O)OC)c(=O)n2[nH]1
InChIInChI=1S/C13H17N3O3/c1-4-5-9-6-11-14-8(2)10(7-12(17)19-3)13(18)16(11)15-9/h6,15H,4-5,7H2,1-3H3
InChIKeySJTKLPKGLCZRSP-UHFFFAOYSA-N
XLogP1.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)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-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 67258474) is methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate is CCCc1cc2nc(C)c(CC(=O)OC)c(=O)n2[nH]1.
What is the InChIKey of methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is SJTKLPKGLCZRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-5-9-6-11-14-8(2)10(7-12(17)19-3)13(18)16(11)15-9/h6,15H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 263.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-7-oxo-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 67258474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).