3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C24H19Cl2N3 — CID 4537663

IUPAC3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESClc1cc(Cl)cc(-n2nc(C(c3ccccc3)c3ccccc3)c3c2NCC3)c1
InChIInChI=1S/C24H19Cl2N3/c25-18-13-19(26)15-20(14-18)29-24-21(11-12-27-24)23(28-29)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,22,27H,11-12H2
InChIKeyODVGEAZBICNLJX-UHFFFAOYSA-N
MW420.34 g/mol
LogP6.33
Rot. Bonds4

About 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 4537663) has the molecular formula C24H19Cl2N3 and a molecular weight of 420.34 g/mol. Its IUPAC name is 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID4537663
Molecular FormulaC24H19Cl2N3
Molecular Weight420.34 g/mol
Exact Mass419.10
IUPAC Name3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESClc1cc(Cl)cc(-n2nc(C(c3ccccc3)c3ccccc3)c3c2NCC3)c1
InChIInChI=1S/C24H19Cl2N3/c25-18-13-19(26)15-20(14-18)29-24-21(11-12-27-24)23(28-29)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,22,27H,11-12H2
InChIKeyODVGEAZBICNLJX-UHFFFAOYSA-N
XLogP6.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3322892
3-benzhydryl-1-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4520851
1-(3,5-dichlorophenyl)-3-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4593234
1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3993934
1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3493774
3-benzhydryl-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4259239
1-(4-chlorophenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3887534
3-(1-benzylpiperidin-4-yl)-1-(3,5-dichlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4538093
1-(2,4-dichlorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3989603
1-(3,5-dichlorophenyl)-3-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3567421
1-(3,4-dichlorophenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3596369
1-(4-methylphenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3931728

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 4537663) is 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Clc1cc(Cl)cc(-n2nc(C(c3ccccc3)c3ccccc3)c3c2NCC3)c1.
What is the InChIKey of 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is ODVGEAZBICNLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3/c25-18-13-19(26)15-20(14-18)29-24-21(11-12-27-24)23(28-29)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,22,27H,11-12H2.
What are the key properties of 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 420.34 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 4537663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).