5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H15N3OS — CID 67787412

IUPAC5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2c(-c3cc(-c4ccccc4)cs3)c[nH]n12
InChIInChI=1S/C22H15N3OS/c26-21-12-19(16-9-5-2-6-10-16)24-22-18(13-23-25(21)22)20-11-17(14-27-20)15-7-3-1-4-8-15/h1-14,23H
InChIKeyPPQJIXSKSOASNO-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.09
Rot. Bonds3

About 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 67787412) has the molecular formula C22H15N3OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID67787412
Molecular FormulaC22H15N3OS
Molecular Weight369.45 g/mol
Exact Mass369.09
IUPAC Name5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2c(-c3cc(-c4ccccc4)cs3)c[nH]n12
InChIInChI=1S/C22H15N3OS/c26-21-12-19(16-9-5-2-6-10-16)24-22-18(13-23-25(21)22)20-11-17(14-27-20)15-7-3-1-4-8-15/h1-14,23H
InChIKeyPPQJIXSKSOASNO-UHFFFAOYSA-N
XLogP5.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 67787412) is 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2c(-c3cc(-c4ccccc4)cs3)c[nH]n12.
What is the InChIKey of 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PPQJIXSKSOASNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS/c26-21-12-19(16-9-5-2-6-10-16)24-22-18(13-23-25(21)22)20-11-17(14-27-20)15-7-3-1-4-8-15/h1-14,23H.
What are the key properties of 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 369.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 67787412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).