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

C16H10BrN3OS — CID 11014155

IUPAC3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccsc2)cnc2c(-c3cccc(Br)c3)c[nH]n12
InChIInChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H
InChIKeyACWOMUVIKOHXCF-UHFFFAOYSA-N
MW372.25 g/mol
LogP4.18
Rot. Bonds2

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

3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 11014155) has the molecular formula C16H10BrN3OS and a molecular weight of 372.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID11014155
Molecular FormulaC16H10BrN3OS
Molecular Weight372.25 g/mol
Exact Mass370.97
IUPAC Name3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccsc2)cnc2c(-c3cccc(Br)c3)c[nH]n12
InChIInChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H
InChIKeyACWOMUVIKOHXCF-UHFFFAOYSA-N
XLogP4.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 11014155) is 3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccsc2)cnc2c(-c3cccc(Br)c3)c[nH]n12.
What is the InChIKey of 3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ACWOMUVIKOHXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H.
What are the key properties of 3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 372.25 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 11014155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).