3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one

C12H11N3O — CID 1482909

IUPAC3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CCn2ncc(-c3ccccc3)c2N1
InChIInChI=1S/C12H11N3O/c16-11-6-7-15-12(14-11)10(8-13-15)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,16)
InChIKeyWUSBRVHIYOCSKN-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.89
Rot. Bonds1

About 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 1482909) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID1482909
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CCn2ncc(-c3ccccc3)c2N1
InChIInChI=1S/C12H11N3O/c16-11-6-7-15-12(14-11)10(8-13-15)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,16)
InChIKeyWUSBRVHIYOCSKN-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 1482909) is 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=C1CCn2ncc(-c3ccccc3)c2N1.
What is the InChIKey of 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WUSBRVHIYOCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-11-6-7-15-12(14-11)10(8-13-15)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,16).
What are the key properties of 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 213.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 1482909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).