[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

C18H13FN2OS2 — CID 7107954

IUPAC[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS2/c19-13-7-5-12(6-8-13)15-11-14(16-3-1-9-23-16)20-21(15)18(22)17-4-2-10-24-17/h1-10,15H,11H2/t15-/m0/s1
InChIKeyGQOAJXBGHIYYGE-HNNXBMFYSA-N
MW356.45 g/mol
LogP4.94
Rot. Bonds3

About [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (PubChem CID 7107954) has the molecular formula C18H13FN2OS2 and a molecular weight of 356.45 g/mol. Its IUPAC name is [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
PubChem CID7107954
Molecular FormulaC18H13FN2OS2
Molecular Weight356.45 g/mol
Exact Mass356.05
IUPAC Name[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS2/c19-13-7-5-12(6-8-13)15-11-14(16-3-1-9-23-16)20-21(15)18(22)17-4-2-10-24-17/h1-10,15H,11H2/t15-/m0/s1
InChIKeyGQOAJXBGHIYYGE-HNNXBMFYSA-N
XLogP4.94
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

Phenyl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 4322336
Cambridge id 6847753
CID 2915914
2-(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)-1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 5086194
5-Ethyl-7-thiophen-2-ylthieno[2,3-d]pyridazin-4-one
CID 145961023
1-(5-Phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
CID 3828937
1-[3-(4-Methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 4616073
1H-Pyrazole, 4,5-dihydro-5-phenyl-1-(2-thienylcarbonyl)-
CID 3078482
(3,5-Diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
CID 2856480
1-[3-(4-Fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 4428090
1-(3-(2,5-Difluorophenyl)-5-(thiophen-2-yl)-4,5-dihydropyrazol-1-yl)ethanone
CID 44401802
2-[1-(4-Fluorobenzoyl)piperidin-4-YL]-6-(thiophen-3-YL)-2,3-dihydropyridazin-3-one
CID 53041194
2-[1-(3-Fluorobenzoyl)piperidin-4-YL]-6-(thiophen-3-YL)-2,3-dihydropyridazin-3-one
CID 53041195

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CID 7107954) is [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The InChIKey is GQOAJXBGHIYYGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H13FN2OS2/c19-13-7-5-12(6-8-13)15-11-14(16-3-1-9-23-16)20-21(15)18(22)17-4-2-10-24-17/h1-10,15H,11H2/t15-/m0/s1.
What are the key properties of [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone has a molecular weight of 356.45 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 7107954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).