2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one

C11H8F3N3OS — CID 83196456

IUPAC2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccc(C(F)(F)F)cn1)CSC2
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-2-9(15-3-6)17-10(18)7-4-19-5-8(7)16-17/h1-3,16H,4-5H2
InChIKeyKVHQYCUJFNBVPQ-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.33
Rot. Bonds1

About 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one

2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (PubChem CID 83196456) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
PubChem CID83196456
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccc(C(F)(F)F)cn1)CSC2
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-2-9(15-3-6)17-10(18)7-4-19-5-8(7)16-17/h1-3,16H,4-5H2
InChIKeyKVHQYCUJFNBVPQ-UHFFFAOYSA-N
XLogP2.33
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021883
5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021881
2-(4-bromophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
CID 83196045
9-(4-methylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraen-5-one
CID 46932819
8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride
CID 67234325
5-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-3-thione
CID 62408882
5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 175979853
2-(triazol-2-yl)-5-(trifluoromethyl)pyridine
CID 102162192
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (CID 83196456) is 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is O=c1c2c([nH]n1-c1ccc(C(F)(F)F)cn1)CSC2.
What is the InChIKey of 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The InChIKey is KVHQYCUJFNBVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-2-9(15-3-6)17-10(18)7-4-19-5-8(7)16-17/h1-3,16H,4-5H2.
What are the key properties of 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one has a molecular weight of 287.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83196456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).