methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate

C15H12N4O3 — CID 2231092

IUPACmethyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C15H12N4O3/c1-22-15(21)10-5-2-3-6-12(10)18-14(20)11-9-17-19-8-4-7-16-13(11)19/h2-9H,1H3,(H,18,20)
InChIKeyWLPPONOPBLHVFO-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.77
Rot. Bonds3

About methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate

methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate (PubChem CID 2231092) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate
PubChem CID2231092
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Namemethyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C15H12N4O3/c1-22-15(21)10-5-2-3-6-12(10)18-14(20)11-9-17-19-8-4-7-16-13(11)19/h2-9H,1H3,(H,18,20)
InChIKeyWLPPONOPBLHVFO-UHFFFAOYSA-N
XLogP1.77
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate?
The IUPAC name of methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate (CID 2231092) is methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate?
The canonical SMILES for methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate?
The InChIKey is WLPPONOPBLHVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-15(21)10-5-2-3-6-12(10)18-14(20)11-9-17-19-8-4-7-16-13(11)19/h2-9H,1H3,(H,18,20).
What are the key properties of methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate?
methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate has a molecular weight of 296.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzoate is sourced from PubChem (CID 2231092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).