(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone

C18H14N2OS2 — CID 2953205

IUPAC(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccccc2)CC1c1cccs1
InChIInChI=1S/C18H14N2OS2/c21-18(17-9-5-11-23-17)20-15(16-8-4-10-22-16)12-14(19-20)13-6-2-1-3-7-13/h1-11,15H,12H2
InChIKeyLQLMMBMHZKZLBE-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.80
Rot. Bonds3

About (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone

(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone (PubChem CID 2953205) has the molecular formula C18H14N2OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
PubChem CID2953205
Molecular FormulaC18H14N2OS2
Molecular Weight338.46 g/mol
Exact Mass338.05
IUPAC Name(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccccc2)CC1c1cccs1
InChIInChI=1S/C18H14N2OS2/c21-18(17-9-5-11-23-17)20-15(16-8-4-10-22-16)12-14(19-20)13-6-2-1-3-7-13/h1-11,15H,12H2
InChIKeyLQLMMBMHZKZLBE-UHFFFAOYSA-N
XLogP4.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone (CID 2953205) is (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1N=C(c2ccccc2)CC1c1cccs1.
What is the InChIKey of (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The InChIKey is LQLMMBMHZKZLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS2/c21-18(17-9-5-11-23-17)20-15(16-8-4-10-22-16)12-14(19-20)13-6-2-1-3-7-13/h1-11,15H,12H2.
What are the key properties of (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone has a molecular weight of 338.46 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2953205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).