2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one

C11H10N2OS — CID 83195413

IUPAC2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one
SMILESO=C1C2CSCC2=NN1c1ccccc1
InChIInChI=1S/C11H10N2OS/c14-11-9-6-15-7-10(9)12-13(11)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyYZWFOBLAYCEALO-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.75
Rot. Bonds1

About 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one

2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one (PubChem CID 83195413) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one
PubChem CID83195413
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one
SMILESO=C1C2CSCC2=NN1c1ccccc1
InChIInChI=1S/C11H10N2OS/c14-11-9-6-15-7-10(9)12-13(11)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyYZWFOBLAYCEALO-UHFFFAOYSA-N
XLogP1.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one?
The IUPAC name of 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one (CID 83195413) is 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one is O=C1C2CSCC2=NN1c1ccccc1.
What is the InChIKey of 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one?
The InChIKey is YZWFOBLAYCEALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-11-9-6-15-7-10(9)12-13(11)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one?
2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one has a molecular weight of 218.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83195413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).