2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole

C19H16N2S — CID 3834518

IUPAC2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESc1ccc(C2CC(c3cccs3)=NN2c2ccccc2)cc1
InChIInChI=1S/C19H16N2S/c1-3-8-15(9-4-1)18-14-17(19-12-7-13-22-19)20-21(18)16-10-5-2-6-11-16/h1-13,18H,14H2
InChIKeyJMYRRXROZQWBCB-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.10
Rot. Bonds3

About 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole

2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 3834518) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID3834518
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESc1ccc(C2CC(c3cccs3)=NN2c2ccccc2)cc1
InChIInChI=1S/C19H16N2S/c1-3-8-15(9-4-1)18-14-17(19-12-7-13-22-19)20-21(18)16-10-5-2-6-11-16/h1-13,18H,14H2
InChIKeyJMYRRXROZQWBCB-UHFFFAOYSA-N
XLogP5.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 3834518) is 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole is c1ccc(C2CC(c3cccs3)=NN2c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is JMYRRXROZQWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-3-8-15(9-4-1)18-14-17(19-12-7-13-22-19)20-21(18)16-10-5-2-6-11-16/h1-13,18H,14H2.
What are the key properties of 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 304.42 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 3834518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).