2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C13H11N3O — CID 135459218

IUPAC2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc2[nH]c(=O)cc(-c3ccccc3)n2n1
InChIInChI=1S/C13H11N3O/c1-9-7-12-14-13(17)8-11(16(12)15-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,17)
InChIKeyUXZWCEIXHWAVDX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.00
Rot. Bonds1

About 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135459218) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135459218
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc2[nH]c(=O)cc(-c3ccccc3)n2n1
InChIInChI=1S/C13H11N3O/c1-9-7-12-14-13(17)8-11(16(12)15-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,17)
InChIKeyUXZWCEIXHWAVDX-UHFFFAOYSA-N
XLogP2.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.00
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
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 2814962
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1,7-Dihydro-3,6-dimethyl-1-phenyl-4H-pyrazolo[3,4-b]pyridin-4-one
CID 135403969
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
2-chloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)acetamide
CID 2369606
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CID 2440126
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
Benzamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 4247366
3-Methyl-5-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875704

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135459218) is 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1cc2[nH]c(=O)cc(-c3ccccc3)n2n1.
What is the InChIKey of 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is UXZWCEIXHWAVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-7-12-14-13(17)8-11(16(12)15-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,17).
What are the key properties of 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135459218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).