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

C11H9FN2OS — CID 83195525

IUPAC2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1cccc(F)c1)CSC2
InChIInChI=1S/C11H9FN2OS/c12-7-2-1-3-8(4-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,13H,5-6H2
InChIKeyILIWIARQRLMOAX-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.05
Rot. Bonds1

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

2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (PubChem CID 83195525) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
PubChem CID83195525
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1cccc(F)c1)CSC2
InChIInChI=1S/C11H9FN2OS/c12-7-2-1-3-8(4-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,13H,5-6H2
InChIKeyILIWIARQRLMOAX-UHFFFAOYSA-N
XLogP2.05
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The IUPAC name of 2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (CID 83195525) is 2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is O=c1c2c([nH]n1-c1cccc(F)c1)CSC2.
What is the InChIKey of 2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The InChIKey is ILIWIARQRLMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-7-2-1-3-8(4-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,13H,5-6H2.
What are the key properties of 2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one has a molecular weight of 236.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83195525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).