2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C12H9N3O — CID 135670831

IUPAC2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1ccn2nc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C12H9N3O/c16-12-6-7-15-11(13-12)8-10(14-15)9-4-2-1-3-5-9/h1-8H,(H,13,16)
InChIKeyWUBLHSVMWNLLAT-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.69
Rot. Bonds1

About 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135670831) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135670831
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1ccn2nc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C12H9N3O/c16-12-6-7-15-11(13-12)8-10(14-15)9-4-2-1-3-5-9/h1-8H,(H,13,16)
InChIKeyWUBLHSVMWNLLAT-UHFFFAOYSA-N
XLogP1.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
Difenamizole
CID 65695
2-chloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)acetamide
CID 2369606
5-Methyl-3-phenyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875693
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875697

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135670831) is 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1ccn2nc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WUBLHSVMWNLLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-6-7-15-11(13-12)8-10(14-15)9-4-2-1-3-5-9/h1-8H,(H,13,16).
What are the key properties of 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 211.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135670831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).