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

C17H13N3OS — CID 10892175

IUPAC3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccsc2)cnc2c(Cc3ccccc3)c[nH]n12
InChIInChI=1S/C17H13N3OS/c21-17-15(13-6-7-22-11-13)10-18-16-14(9-19-20(16)17)8-12-4-2-1-3-5-12/h1-7,9-11,19H,8H2
InChIKeyORPURFDCSXXEIG-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.34
Rot. Bonds3

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

3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10892175) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10892175
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccsc2)cnc2c(Cc3ccccc3)c[nH]n12
InChIInChI=1S/C17H13N3OS/c21-17-15(13-6-7-22-11-13)10-18-16-14(9-19-20(16)17)8-12-4-2-1-3-5-12/h1-7,9-11,19H,8H2
InChIKeyORPURFDCSXXEIG-UHFFFAOYSA-N
XLogP3.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10892175) is 3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccsc2)cnc2c(Cc3ccccc3)c[nH]n12.
What is the InChIKey of 3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ORPURFDCSXXEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-17-15(13-6-7-22-11-13)10-18-16-14(9-19-20(16)17)8-12-4-2-1-3-5-12/h1-7,9-11,19H,8H2.
What are the key properties of 3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 307.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10892175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).