(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone

C18H14N2OS2 — CID 3440064

IUPAC(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2cccs2)CC1c1cccs1
InChIInChI=1S/C18H14N2OS2/c21-18(13-6-2-1-3-7-13)20-15(17-9-5-11-23-17)12-14(19-20)16-8-4-10-22-16/h1-11,15H,12H2
InChIKeyWIEIGQJCHVWDFQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.80
Rot. Bonds3

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

(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone (PubChem CID 3440064) has the molecular formula C18H14N2OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone
PubChem CID3440064
Molecular FormulaC18H14N2OS2
Molecular Weight338.46 g/mol
Exact Mass338.05
IUPAC Name(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2cccs2)CC1c1cccs1
InChIInChI=1S/C18H14N2OS2/c21-18(13-6-2-1-3-7-13)20-15(17-9-5-11-23-17)12-14(19-20)16-8-4-10-22-16/h1-11,15H,12H2
InChIKeyWIEIGQJCHVWDFQ-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 (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
The IUPAC name of (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone (CID 3440064) is (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone.
What is the SMILES notation for (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
The canonical SMILES for (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone is O=C(c1ccccc1)N1N=C(c2cccs2)CC1c1cccs1.
What is the InChIKey of (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
The InChIKey is WIEIGQJCHVWDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS2/c21-18(13-6-2-1-3-7-13)20-15(17-9-5-11-23-17)12-14(19-20)16-8-4-10-22-16/h1-11,15H,12H2.
What are the key properties of (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone 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 (3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-phenylmethanone is sourced from PubChem (CID 3440064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).