3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole

C15H10Cl4N2 — CID 15327622

IUPAC3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1cccc(Cl)c1C1=NNC(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H10Cl4N2/c16-8-3-1-4-9(17)14(8)12-7-13(21-20-12)15-10(18)5-2-6-11(15)19/h1-6,12,20H,7H2
InChIKeyUFLBIYJDSSTZNT-UHFFFAOYSA-N
MW360.07 g/mol
LogP5.74
Rot. Bonds2

About 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole

3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 15327622) has the molecular formula C15H10Cl4N2 and a molecular weight of 360.07 g/mol. Its IUPAC name is 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID15327622
Molecular FormulaC15H10Cl4N2
Molecular Weight360.07 g/mol
Exact Mass357.96
IUPAC Name3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1cccc(Cl)c1C1=NNC(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H10Cl4N2/c16-8-3-1-4-9(17)14(8)12-7-13(21-20-12)15-10(18)5-2-6-11(15)19/h1-6,12,20H,7H2
InChIKeyUFLBIYJDSSTZNT-UHFFFAOYSA-N
XLogP5.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.07
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole 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 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole (CID 15327622) is 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole is Clc1cccc(Cl)c1C1=NNC(c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is UFLBIYJDSSTZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2/c16-8-3-1-4-9(17)14(8)12-7-13(21-20-12)15-10(18)5-2-6-11(15)19/h1-6,12,20H,7H2.
What are the key properties of 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole?
3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 360.07 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,6-dichlorophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 15327622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).