methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate

C17H16N4O3 — CID 19440492

IUPACmethyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cnn2c(-c3ccc(C)cc3)ccnc12
InChIInChI=1S/C17H16N4O3/c1-11-3-5-12(6-4-11)14-7-8-18-16-13(9-20-21(14)16)17(23)19-10-15(22)24-2/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyZAURAPZIJPRSLA-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.61
Rot. Bonds4

About methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate

methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate (PubChem CID 19440492) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
PubChem CID19440492
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Namemethyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cnn2c(-c3ccc(C)cc3)ccnc12
InChIInChI=1S/C17H16N4O3/c1-11-3-5-12(6-4-11)14-7-8-18-16-13(9-20-21(14)16)17(23)19-10-15(22)24-2/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyZAURAPZIJPRSLA-UHFFFAOYSA-N
XLogP1.61
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate (CID 19440492) is methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cnn2c(-c3ccc(C)cc3)ccnc12.
What is the InChIKey of methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate?
The InChIKey is ZAURAPZIJPRSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-3-5-12(6-4-11)14-7-8-18-16-13(9-20-21(14)16)17(23)19-10-15(22)24-2/h3-9H,10H2,1-2H3,(H,19,23).
What are the key properties of methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate?
methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate has a molecular weight of 324.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 19440492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).