5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H11N3OS — CID 2818828

IUPAC5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2cc(-c3cccs3)[nH]n12
InChIInChI=1S/C16H11N3OS/c20-16-10-12(11-5-2-1-3-6-11)17-15-9-13(18-19(15)16)14-7-4-8-21-14/h1-10,18H
InChIKeyJZGKUKTZCYJWCE-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.42
Rot. Bonds2

About 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2818828) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2818828
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2cc(-c3cccs3)[nH]n12
InChIInChI=1S/C16H11N3OS/c20-16-10-12(11-5-2-1-3-6-11)17-15-9-13(18-19(15)16)14-7-4-8-21-14/h1-10,18H
InChIKeyJZGKUKTZCYJWCE-UHFFFAOYSA-N
XLogP3.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2818828) is 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2cc(-c3cccs3)[nH]n12.
What is the InChIKey of 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JZGKUKTZCYJWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c20-16-10-12(11-5-2-1-3-6-11)17-15-9-13(18-19(15)16)14-7-4-8-21-14/h1-10,18H.
What are the key properties of 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 293.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2818828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).