2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole

C20H18N2OS — CID 11835237

IUPAC2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1N1N=C(c2cccs2)CC1c1ccccc1
InChIInChI=1S/C20H18N2OS/c1-23-19-11-6-5-10-17(19)22-18(15-8-3-2-4-9-15)14-16(21-22)20-12-7-13-24-20/h2-13,18H,14H2,1H3
InChIKeyOPVIXQGOGPJATJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.11
Rot. Bonds4

About 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole

2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 11835237) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID11835237
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1N1N=C(c2cccs2)CC1c1ccccc1
InChIInChI=1S/C20H18N2OS/c1-23-19-11-6-5-10-17(19)22-18(15-8-3-2-4-9-15)14-16(21-22)20-12-7-13-24-20/h2-13,18H,14H2,1H3
InChIKeyOPVIXQGOGPJATJ-UHFFFAOYSA-N
XLogP5.11
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 11835237) is 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is COc1ccccc1N1N=C(c2cccs2)CC1c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is OPVIXQGOGPJATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-23-19-11-6-5-10-17(19)22-18(15-8-3-2-4-9-15)14-16(21-22)20-12-7-13-24-20/h2-13,18H,14H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 334.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 11835237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).