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

C18H13FN2OS2 — CID 4591065

IUPAC[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2cccs2)CC1c1ccc(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
InChIKeyGQOAJXBGHIYYGE-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.94
Rot. Bonds3

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

[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (PubChem CID 4591065) has the molecular formula C18H13FN2OS2 and a molecular weight of 356.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
PubChem CID4591065
Molecular FormulaC18H13FN2OS2
Molecular Weight356.45 g/mol
Exact Mass356.05
IUPAC Name[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2cccs2)CC1c1ccc(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
InChIKeyGQOAJXBGHIYYGE-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CID 4591065) is [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1N=C(c2cccs2)CC1c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The InChIKey is GQOAJXBGHIYYGE-UHFFFAOYSA-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.
What are the key properties of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
[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 [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 4591065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).