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

C16H12N2OS3 — CID 2951847

IUPAC(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2cccs2)CC1c1cccs1
InChIInChI=1S/C16H12N2OS3/c19-16(15-6-3-9-22-15)18-12(14-5-2-8-21-14)10-11(17-18)13-4-1-7-20-13/h1-9,12H,10H2
InChIKeyRQHMSZNYEXXTBQ-UHFFFAOYSA-N
MW344.49 g/mol
LogP4.86
Rot. Bonds3

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

(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone (PubChem CID 2951847) has the molecular formula C16H12N2OS3 and a molecular weight of 344.49 g/mol. Its IUPAC name is (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
PubChem CID2951847
Molecular FormulaC16H12N2OS3
Molecular Weight344.49 g/mol
Exact Mass344.01
IUPAC Name(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2cccs2)CC1c1cccs1
InChIInChI=1S/C16H12N2OS3/c19-16(15-6-3-9-22-15)18-12(14-5-2-8-21-14)10-11(17-18)13-4-1-7-20-13/h1-9,12H,10H2
InChIKeyRQHMSZNYEXXTBQ-UHFFFAOYSA-N
XLogP4.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2953164
CID 2953164
CID 2856480
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CID 7107954
CID 7107954
CID 2990480
CID 2990480
CID 2989676
CID 2989676
CID 3440064
CID 3440064
CID 2953205
CID 2953205
CID 2963419
CID 2963419
CID 16267954
CID 16267954
CID 91624021
CID 91624021
CID 4591065
CID 4591065
CID 16675142
CID 16675142

Frequently Asked Questions

What is the IUPAC name of (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone (CID 2951847) is (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1N=C(c2cccs2)CC1c1cccs1.
What is the InChIKey of (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The InChIKey is RQHMSZNYEXXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS3/c19-16(15-6-3-9-22-15)18-12(14-5-2-8-21-14)10-11(17-18)13-4-1-7-20-13/h1-9,12H,10H2.
What are the key properties of (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone has a molecular weight of 344.49 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2951847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).