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

C20H18N2OS — CID 7071548

IUPAC(3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1
InChIInChI=1S/C20H18N2OS/c1-23-17-11-9-15(10-12-17)18-14-19(20-8-5-13-24-20)22(21-18)16-6-3-2-4-7-16/h2-13,19H,14H2,1H3/t19-/m0/s1
InChIKeyVRKBBDGXDMUOAI-IBGZPJMESA-N
MW334.44 g/mol
LogP5.11
Rot. Bonds4

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

(3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 7071548) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID7071548
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name(3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1
InChIInChI=1S/C20H18N2OS/c1-23-17-11-9-15(10-12-17)18-14-19(20-8-5-13-24-20)22(21-18)16-6-3-2-4-7-16/h2-13,19H,14H2,1H3/t19-/m0/s1
InChIKeyVRKBBDGXDMUOAI-IBGZPJMESA-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

Analyze (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 7071548) is (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1.
What is the InChIKey of (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is VRKBBDGXDMUOAI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N2OS/c1-23-17-11-9-15(10-12-17)18-14-19(20-8-5-13-24-20)22(21-18)16-6-3-2-4-7-16/h2-13,19H,14H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
(3S)-5-(4-methoxyphenyl)-2-phenyl-3-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 (3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 7071548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).