6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H11N3OS — CID 15484988

IUPAC6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccccc2)cnc2c(-c3ccsc3)c[nH]n12
InChIInChI=1S/C16H11N3OS/c20-16-14(11-4-2-1-3-5-11)8-17-15-13(9-18-19(15)16)12-6-7-21-10-12/h1-10,18H
InChIKeyLUTNMVQZZFWVBW-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.42
Rot. Bonds2

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

6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 15484988) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID15484988
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccccc2)cnc2c(-c3ccsc3)c[nH]n12
InChIInChI=1S/C16H11N3OS/c20-16-14(11-4-2-1-3-5-11)8-17-15-13(9-18-19(15)16)12-6-7-21-10-12/h1-10,18H
InChIKeyLUTNMVQZZFWVBW-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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 15484988) is 6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccccc2)cnc2c(-c3ccsc3)c[nH]n12.
What is the InChIKey of 6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LUTNMVQZZFWVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c20-16-14(11-4-2-1-3-5-11)8-17-15-13(9-18-19(15)16)12-6-7-21-10-12/h1-10,18H.
What are the key properties of 6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-phenyl-3-thiophen-3-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 6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 15484988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).