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

C24H19Cl2N3 — CID 3322892

IUPAC3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESClc1cccc(-n2nc(C(c3ccccc3)c3ccccc3)c3c2NCC3)c1Cl
InChIInChI=1S/C24H19Cl2N3/c25-19-12-7-13-20(22(19)26)29-24-18(14-15-27-24)23(28-29)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,21,27H,14-15H2
InChIKeyBHLOSJIEZNNYRY-UHFFFAOYSA-N
MW420.34 g/mol
LogP6.33
Rot. Bonds4

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

3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3322892) has the molecular formula C24H19Cl2N3 and a molecular weight of 420.34 g/mol. Its IUPAC name is 3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3322892
Molecular FormulaC24H19Cl2N3
Molecular Weight420.34 g/mol
Exact Mass419.10
IUPAC Name3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESClc1cccc(-n2nc(C(c3ccccc3)c3ccccc3)c3c2NCC3)c1Cl
InChIInChI=1S/C24H19Cl2N3/c25-19-12-7-13-20(22(19)26)29-24-18(14-15-27-24)23(28-29)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,21,27H,14-15H2
InChIKeyBHLOSJIEZNNYRY-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

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Related Compounds

3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4537663
3-benzhydryl-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4259239
3-benzyl-1-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3934438
1-(2-fluorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3932177
1-(2,3-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4559253
1-(2,3-dichlorophenyl)-3-(2-methylpropyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 5141563
1-(2,3-dichlorophenyl)-3-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3530084
1-(2,4-dichlorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3989603
3-(3-bromophenyl)-1-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4255056
1-(2,3-dichlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586825
1-(2-chlorophenyl)-3-(methylsulfanylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5030723
1-(3-chloro-2-methylphenyl)-3-cyclohexyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3943504

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3322892) is 3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Clc1cccc(-n2nc(C(c3ccccc3)c3ccccc3)c3c2NCC3)c1Cl.
What is the InChIKey of 3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is BHLOSJIEZNNYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3/c25-19-12-7-13-20(22(19)26)29-24-18(14-15-27-24)23(28-29)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,21,27H,14-15H2.
What are the key properties of 3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-benzhydryl-1-(2,3-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-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3322892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).