1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone

C14H14N2O2S — CID 47087857

IUPAC1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccsc2)CC1c1ccc(C)o1
InChIInChI=1S/C14H14N2O2S/c1-9-3-4-14(18-9)13-7-12(11-5-6-19-8-11)15-16(13)10(2)17/h3-6,8,13H,7H2,1-2H3
InChIKeyKTWIZQYXLOFTSG-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.35
Rot. Bonds2

About 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone

1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 47087857) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID47087857
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccsc2)CC1c1ccc(C)o1
InChIInChI=1S/C14H14N2O2S/c1-9-3-4-14(18-9)13-7-12(11-5-6-19-8-11)15-16(13)10(2)17/h3-6,8,13H,7H2,1-2H3
InChIKeyKTWIZQYXLOFTSG-UHFFFAOYSA-N
XLogP3.35
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 47087857) is 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccsc2)CC1c1ccc(C)o1.
What is the InChIKey of 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is KTWIZQYXLOFTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-3-4-14(18-9)13-7-12(11-5-6-19-8-11)15-16(13)10(2)17/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 274.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylfuran-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 47087857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).