5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H13N3O — CID 810712

IUPAC5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3ccccc3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H13N3O/c1-9-10(2)15-13-8-12(16-17(13)14(9)18)11-6-4-3-5-7-11/h3-8,16H,1-2H3
InChIKeyURYZABDSMGMPEL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.31
Rot. Bonds1

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

5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 810712) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID810712
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3ccccc3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H13N3O/c1-9-10(2)15-13-8-12(16-17(13)14(9)18)11-6-4-3-5-7-11/h3-8,16H,1-2H3
InChIKeyURYZABDSMGMPEL-UHFFFAOYSA-N
XLogP2.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 810712) is 5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(-c3ccccc3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is URYZABDSMGMPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-10(2)15-13-8-12(16-17(13)14(9)18)11-6-4-3-5-7-11/h3-8,16H,1-2H3.
What are the key properties of 5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 239.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 810712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).