3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H13N3O — CID 10379306

IUPAC3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccccc2)cnc2c(-c3ccccc3)c[nH]n12
InChIInChI=1S/C18H13N3O/c22-18-16(14-9-5-2-6-10-14)11-19-17-15(12-20-21(17)18)13-7-3-1-4-8-13/h1-12,20H
InChIKeyMFCNIOYCTOSWRQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.36
Rot. Bonds2

About 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10379306) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10379306
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccccc2)cnc2c(-c3ccccc3)c[nH]n12
InChIInChI=1S/C18H13N3O/c22-18-16(14-9-5-2-6-10-14)11-19-17-15(12-20-21(17)18)13-7-3-1-4-8-13/h1-12,20H
InChIKeyMFCNIOYCTOSWRQ-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10379306) is 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccccc2)cnc2c(-c3ccccc3)c[nH]n12.
What is the InChIKey of 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MFCNIOYCTOSWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-16(14-9-5-2-6-10-14)11-19-17-15(12-20-21(17)18)13-7-3-1-4-8-13/h1-12,20H.
What are the key properties of 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 287.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10379306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).