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

C20H18N2OS — CID 2842530

IUPAC4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CN(c2ccccc2)N=C1c1cccs1
InChIInChI=1S/C20H18N2OS/c1-23-18-11-6-5-10-16(18)17-14-22(15-8-3-2-4-9-15)21-20(17)19-12-7-13-24-19/h2-13,17H,14H2,1H3
InChIKeyKTKQHVZUOQDOQQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.76
Rot. Bonds4

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

4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2842530) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2842530
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CN(c2ccccc2)N=C1c1cccs1
InChIInChI=1S/C20H18N2OS/c1-23-18-11-6-5-10-16(18)17-14-22(15-8-3-2-4-9-15)21-20(17)19-12-7-13-24-19/h2-13,17H,14H2,1H3
InChIKeyKTKQHVZUOQDOQQ-UHFFFAOYSA-N
XLogP4.76
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2842530) is 4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is COc1ccccc1C1CN(c2ccccc2)N=C1c1cccs1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is KTKQHVZUOQDOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-23-18-11-6-5-10-16(18)17-14-22(15-8-3-2-4-9-15)21-20(17)19-12-7-13-24-19/h2-13,17H,14H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 334.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2842530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).