6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H12N4O — CID 115043650

IUPAC6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNCc1cnc2cc(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C13H12N4O/c14-7-10-8-15-12-6-11(16-17(12)13(10)18)9-4-2-1-3-5-9/h1-6,8,16H,7,14H2
InChIKeyXIBPEZSOXQCUIC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.15
Rot. Bonds2

About 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 115043650) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID115043650
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNCc1cnc2cc(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C13H12N4O/c14-7-10-8-15-12-6-11(16-17(12)13(10)18)9-4-2-1-3-5-9/h1-6,8,16H,7,14H2
InChIKeyXIBPEZSOXQCUIC-UHFFFAOYSA-N
XLogP1.15
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 115043650) is 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is NCc1cnc2cc(-c3ccccc3)[nH]n2c1=O.
What is the InChIKey of 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XIBPEZSOXQCUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-7-10-8-15-12-6-11(16-17(12)13(10)18)9-4-2-1-3-5-9/h1-6,8,16H,7,14H2.
What are the key properties of 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 240.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115043650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).