3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole

C23H20N4S — CID 171349022

IUPAC3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3cccs3)=NN2)cc1
InChIInChI=1S/C23H20N4S/c1-16-9-11-17(12-10-16)23-19(15-27(26-23)18-6-3-2-4-7-18)20-14-21(25-24-20)22-8-5-13-28-22/h2-13,15,20,24H,14H2,1H3
InChIKeyINQXZXVZTASUGY-UHFFFAOYSA-N
MW384.51 g/mol
LogP5.35
Rot. Bonds4

About 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole

3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole (PubChem CID 171349022) has the molecular formula C23H20N4S and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole
PubChem CID171349022
Molecular FormulaC23H20N4S
Molecular Weight384.51 g/mol
Exact Mass384.14
IUPAC Name3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3cccs3)=NN2)cc1
InChIInChI=1S/C23H20N4S/c1-16-9-11-17(12-10-16)23-19(15-27(26-23)18-6-3-2-4-7-18)20-14-21(25-24-20)22-8-5-13-28-22/h2-13,15,20,24H,14H2,1H3
InChIKeyINQXZXVZTASUGY-UHFFFAOYSA-N
XLogP5.35
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole?
The IUPAC name of 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole (CID 171349022) is 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole?
The canonical SMILES for 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole is Cc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3cccs3)=NN2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole?
The InChIKey is INQXZXVZTASUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4S/c1-16-9-11-17(12-10-16)23-19(15-27(26-23)18-6-3-2-4-7-18)20-14-21(25-24-20)22-8-5-13-28-22/h2-13,15,20,24H,14H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole?
3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole has a molecular weight of 384.51 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole is sourced from PubChem (CID 171349022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).