methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate

C17H16N4O3 — CID 1097818

IUPACmethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C17H16N4O3/c1-10-8-11(2)21-15(19-10)13(9-18-21)16(22)20-14-7-5-4-6-12(14)17(23)24-3/h4-9H,1-3H3,(H,20,22)
InChIKeyUMQMZGINJRJXDB-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate

methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate (PubChem CID 1097818) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate
PubChem CID1097818
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Namemethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C17H16N4O3/c1-10-8-11(2)21-15(19-10)13(9-18-21)16(22)20-14-7-5-4-6-12(14)17(23)24-3/h4-9H,1-3H3,(H,20,22)
InChIKeyUMQMZGINJRJXDB-UHFFFAOYSA-N
XLogP2.39
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate (CID 1097818) is methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cnn2c(C)cc(C)nc12.
What is the InChIKey of methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate?
The InChIKey is UMQMZGINJRJXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-8-11(2)21-15(19-10)13(9-18-21)16(22)20-14-7-5-4-6-12(14)17(23)24-3/h4-9H,1-3H3,(H,20,22).
What are the key properties of methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate?
methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate has a molecular weight of 324.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 1097818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).