(5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione

C20H22N4S — CID 11602745

IUPAC(5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione
SMILESS=C(N1CCN(c2ccccc2)CC1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C20H22N4S/c25-20(24-12-11-19(21-24)17-7-3-1-4-8-17)23-15-13-22(14-16-23)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyGGPQVBKJPJNVDC-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.20
Rot. Bonds2

About (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione

(5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione (PubChem CID 11602745) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione.

Molecular Properties

Compound Name(5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione
PubChem CID11602745
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name(5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione
SMILESS=C(N1CCN(c2ccccc2)CC1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C20H22N4S/c25-20(24-12-11-19(21-24)17-7-3-1-4-8-17)23-15-13-22(14-16-23)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyGGPQVBKJPJNVDC-UHFFFAOYSA-N
XLogP3.20
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione 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 (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione?
The IUPAC name of (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione (CID 11602745) is (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione.
What is the SMILES notation for (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione?
The canonical SMILES for (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione is S=C(N1CCN(c2ccccc2)CC1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione?
The InChIKey is GGPQVBKJPJNVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c25-20(24-12-11-19(21-24)17-7-3-1-4-8-17)23-15-13-22(14-16-23)18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione?
(5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione has a molecular weight of 350.49 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione is sourced from PubChem (CID 11602745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).