3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole

C21H18N2S — CID 150727712

IUPAC3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole
SMILESC=C(c1ccccc1)N1NC(c2cccs2)=CC1c1ccccc1
InChIInChI=1S/C21H18N2S/c1-16(17-9-4-2-5-10-17)23-20(18-11-6-3-7-12-18)15-19(22-23)21-13-8-14-24-21/h2-15,20,22H,1H2
InChIKeyJREKIMRNQCJLJZ-UHFFFAOYSA-N
MW330.46 g/mol
LogP5.32
Rot. Bonds4

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

3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole (PubChem CID 150727712) has the molecular formula C21H18N2S and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole
PubChem CID150727712
Molecular FormulaC21H18N2S
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC Name3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole
SMILESC=C(c1ccccc1)N1NC(c2cccs2)=CC1c1ccccc1
InChIInChI=1S/C21H18N2S/c1-16(17-9-4-2-5-10-17)23-20(18-11-6-3-7-12-18)15-19(22-23)21-13-8-14-24-21/h2-15,20,22H,1H2
InChIKeyJREKIMRNQCJLJZ-UHFFFAOYSA-N
XLogP5.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole?
The IUPAC name of 3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole (CID 150727712) is 3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole.
What is the SMILES notation for 3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole?
The canonical SMILES for 3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole is C=C(c1ccccc1)N1NC(c2cccs2)=CC1c1ccccc1.
What is the InChIKey of 3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole?
The InChIKey is JREKIMRNQCJLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S/c1-16(17-9-4-2-5-10-17)23-20(18-11-6-3-7-12-18)15-19(22-23)21-13-8-14-24-21/h2-15,20,22H,1H2.
What are the key properties of 3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole?
3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole has a molecular weight of 330.46 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(1-phenylethenyl)-5-thiophen-2-yl-1,3-dihydropyrazole is sourced from PubChem (CID 150727712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).