furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

C17H14N2O3S — CID 2987949

IUPACfuran-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccco2)o1
InChIInChI=1S/C17H14N2O3S/c1-11-6-7-14(22-11)13-10-12(16-5-3-9-23-16)18-19(13)17(20)15-4-2-8-21-15/h2-9,13H,10H2,1H3
InChIKeyJBZNROJDQFGXJN-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.23
Rot. Bonds3

About furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 2987949) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID2987949
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Namefuran-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccco2)o1
InChIInChI=1S/C17H14N2O3S/c1-11-6-7-14(22-11)13-10-12(16-5-3-9-23-16)18-19(13)17(20)15-4-2-8-21-15/h2-9,13H,10H2,1H3
InChIKeyJBZNROJDQFGXJN-UHFFFAOYSA-N
XLogP4.23
TPSA58.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone with MolForge

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Related Compounds

2-Chloro-1-(5-furan-2-yl-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl)-ethanone
CID 3162837
5-(4-fluorophenyl)-1-(2-furoyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2952032
2-(diethylamino)-1-(5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11841123
1-{2-[5-(2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methylpiperazine
CID 11841124
2-(2-Fluorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16300130
2-[2-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzonitrile
CID 16323457
2-(2-Chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16324602
2-(4-Chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16556558
1-(5-(5-methylfuran-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2987751
5-(2-furyl)-1-propionyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 3146328
1-acetyl-5-(2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2951972
1-(3-Furan-2-yl-5-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl)-ethanone
CID 2952861

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (CID 2987949) is furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is Cc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccco2)o1.
What is the InChIKey of furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is JBZNROJDQFGXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-11-6-7-14(22-11)13-10-12(16-5-3-9-23-16)18-19(13)17(20)15-4-2-8-21-15/h2-9,13H,10H2,1H3.
What are the key properties of furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 326.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 2987949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).