2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one

C11H9BrN2OS — CID 83196045

IUPAC2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccc(Br)cc1)CSC2
InChIInChI=1S/C11H9BrN2OS/c12-7-1-3-8(4-2-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,13H,5-6H2
InChIKeyYYDQFVDAERRLOT-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.67
Rot. Bonds1

About 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one

2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (PubChem CID 83196045) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
PubChem CID83196045
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccc(Br)cc1)CSC2
InChIInChI=1S/C11H9BrN2OS/c12-7-1-3-8(4-2-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,13H,5-6H2
InChIKeyYYDQFVDAERRLOT-UHFFFAOYSA-N
XLogP2.67
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The IUPAC name of 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (CID 83196045) is 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is O=c1c2c([nH]n1-c1ccc(Br)cc1)CSC2.
What is the InChIKey of 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The InChIKey is YYDQFVDAERRLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-7-1-3-8(4-2-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,13H,5-6H2.
What are the key properties of 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one has a molecular weight of 297.18 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83196045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).