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

C16H12N2O3S — CID 3146329

IUPACfuran-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccco1)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C16H12N2O3S/c19-16(14-5-2-8-21-14)18-12(13-4-1-7-20-13)10-11(17-18)15-6-3-9-22-15/h1-9,12H,10H2
InChIKeyXJRBJBNJGSQUTB-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.93
Rot. Bonds3

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

furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 3146329) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID3146329
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Namefuran-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccco1)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C16H12N2O3S/c19-16(14-5-2-8-21-14)18-12(13-4-1-7-20-13)10-11(17-18)15-6-3-9-22-15/h1-9,12H,10H2
InChIKeyXJRBJBNJGSQUTB-UHFFFAOYSA-N
XLogP3.93
TPSA58.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (CID 3146329) is furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccco1)N1N=C(c2cccs2)CC1c1ccco1.
What is the InChIKey of furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is XJRBJBNJGSQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-16(14-5-2-8-21-14)18-12(13-4-1-7-20-13)10-11(17-18)15-6-3-9-22-15/h1-9,12H,10H2.
What are the key properties of furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
furan-2-yl-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 312.35 g/mol, XLogP of 3.93, 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-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 3146329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).