5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

C14H13N3O — CID 702848

IUPAC5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(C)n2[nH]c(=O)c(-c3ccccc3)c2n1
InChIInChI=1S/C14H13N3O/c1-9-8-10(2)17-13(15-9)12(14(18)16-17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18)
InChIKeyOCVRXWOGFQHVLC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.31
Rot. Bonds1

About 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 702848) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID702848
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(C)n2[nH]c(=O)c(-c3ccccc3)c2n1
InChIInChI=1S/C14H13N3O/c1-9-8-10(2)17-13(15-9)12(14(18)16-17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18)
InChIKeyOCVRXWOGFQHVLC-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 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 702848) is 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1cc(C)n2[nH]c(=O)c(-c3ccccc3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is OCVRXWOGFQHVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-8-10(2)17-13(15-9)12(14(18)16-17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18).
What are the key properties of 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-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 5,7-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 702848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).