2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole

C19H16N2S2 — CID 154356185

IUPAC2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole
SMILESC=C(c1ccccc1)N1NC(c2cccs2)=CC1c1cccs1
InChIInChI=1S/C19H16N2S2/c1-14(15-7-3-2-4-8-15)21-17(19-10-6-12-23-19)13-16(20-21)18-9-5-11-22-18/h2-13,17,20H,1H2
InChIKeyLENRQXCSNXMCIO-UHFFFAOYSA-N
MW336.49 g/mol
LogP5.38
Rot. Bonds4

About 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole

2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole (PubChem CID 154356185) has the molecular formula C19H16N2S2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole.

Molecular Properties

Compound Name2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole
PubChem CID154356185
Molecular FormulaC19H16N2S2
Molecular Weight336.49 g/mol
Exact Mass336.08
IUPAC Name2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole
SMILESC=C(c1ccccc1)N1NC(c2cccs2)=CC1c1cccs1
InChIInChI=1S/C19H16N2S2/c1-14(15-7-3-2-4-8-15)21-17(19-10-6-12-23-19)13-16(20-21)18-9-5-11-22-18/h2-13,17,20H,1H2
InChIKeyLENRQXCSNXMCIO-UHFFFAOYSA-N
XLogP5.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.49
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole?
The IUPAC name of 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole (CID 154356185) is 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole.
What is the SMILES notation for 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole?
The canonical SMILES for 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole is C=C(c1ccccc1)N1NC(c2cccs2)=CC1c1cccs1.
What is the InChIKey of 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole?
The InChIKey is LENRQXCSNXMCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S2/c1-14(15-7-3-2-4-8-15)21-17(19-10-6-12-23-19)13-16(20-21)18-9-5-11-22-18/h2-13,17,20H,1H2.
What are the key properties of 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole?
2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole has a molecular weight of 336.49 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethenyl)-3,5-dithiophen-2-yl-1,3-dihydropyrazole is sourced from PubChem (CID 154356185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).