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

C13H12N2OS2 — CID 47087854

IUPAC1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2ccsc2)CC1c1cccs1
InChIInChI=1S/C13H12N2OS2/c1-9(16)15-12(13-3-2-5-18-13)7-11(14-15)10-4-6-17-8-10/h2-6,8,12H,7H2,1H3
InChIKeyZVVHDPSTORAQNJ-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.51
Rot. Bonds2

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

1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 47087854) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID47087854
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2ccsc2)CC1c1cccs1
InChIInChI=1S/C13H12N2OS2/c1-9(16)15-12(13-3-2-5-18-13)7-11(14-15)10-4-6-17-8-10/h2-6,8,12H,7H2,1H3
InChIKeyZVVHDPSTORAQNJ-UHFFFAOYSA-N
XLogP3.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone (CID 47087854) is 1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone is CC(=O)N1N=C(c2ccsc2)CC1c1cccs1.
What is the InChIKey of 1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is ZVVHDPSTORAQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-9(16)15-12(13-3-2-5-18-13)7-11(14-15)10-4-6-17-8-10/h2-6,8,12H,7H2,1H3.
What are the key properties of 1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone?
1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 276.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 47087854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).