[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

C17H14N2OS3 — CID 2963419

IUPAC[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccsc1C1CC(c2cccs2)=NN1C(=O)c1cccs1
InChIInChI=1S/C17H14N2OS3/c1-11-6-9-23-16(11)13-10-12(14-4-2-7-21-14)18-19(13)17(20)15-5-3-8-22-15/h2-9,13H,10H2,1H3
InChIKeyXHZMPZQRAZKSBB-UHFFFAOYSA-N
MW358.51 g/mol
LogP5.17
Rot. Bonds3

About [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (PubChem CID 2963419) has the molecular formula C17H14N2OS3 and a molecular weight of 358.51 g/mol. Its IUPAC name is [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
PubChem CID2963419
Molecular FormulaC17H14N2OS3
Molecular Weight358.51 g/mol
Exact Mass358.03
IUPAC Name[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccsc1C1CC(c2cccs2)=NN1C(=O)c1cccs1
InChIInChI=1S/C17H14N2OS3/c1-11-6-9-23-16(11)13-10-12(14-4-2-7-21-14)18-19(13)17(20)15-5-3-8-22-15/h2-9,13H,10H2,1H3
InChIKeyXHZMPZQRAZKSBB-UHFFFAOYSA-N
XLogP5.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CID 2963419) is [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is Cc1ccsc1C1CC(c2cccs2)=NN1C(=O)c1cccs1.
What is the InChIKey of [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The InChIKey is XHZMPZQRAZKSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS3/c1-11-6-9-23-16(11)13-10-12(14-4-2-7-21-14)18-19(13)17(20)15-5-3-8-22-15/h2-9,13H,10H2,1H3.
What are the key properties of [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone has a molecular weight of 358.51 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2963419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).