4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine

C88H73Cl4N21 — CID 158421194

About 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine

4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine (PubChem CID 158421194) has the molecular formula C88H73Cl4N21 and a molecular weight of 1566.51 g/mol. Its IUPAC name is 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
• PubChem CID: 158421194
• Molecular Formula: C88H73Cl4N21
• Molecular Weight: 1566.51 g/mol
• Exact Mass: 1563.51
• IUPAC Name: 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
• SMILES: C=C1CCCN1CCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCn1ccnc1.Cn1cncc1Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
• InChI: InChI=1S/C24H22ClN5.2C22H17ClN6.C20H17ClN4/c1-17-9-8-14-29(17)15-16-30-24-20(22(28-30)18-10-4-2-5-11-18)21(25)23(26-27-24)19-12-6-3-7-13-19;1-28-14-24-12-17(28)13-29-22-18(20(27-29)15-8-4-2-5-9-15)19(23)21(25-26-22)16-10-6-3-7-11-16;23-19-18-20(16-7-3-1-4-8-16)27-29(14-13-28-12-11-24-15-28)22(18)26-25-21(19)17-9-5-2-6-10-17;1-2-13-25-20-16(18(24-25)14-9-5-3-6-10-14)17(21)19(22-23-20)15-11-7-4-8-12-15/h2-7,10-13H,1,8-9,14-16H2;2-12,14H,13H2,1H3;1-12,15H,13-14H2;3-12H,2,13H2,1H3
• InChIKey: HAMXCLPPIOAOTO-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 213.28 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1566.51
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine (CID 158421194) is 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine is C=C1CCCN1CCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCn1ccnc1.Cn1cncc1Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.

What is the InChIKey of 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The InChIKey is HAMXCLPPIOAOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5.2C22H17ClN6.C20H17ClN4/c1-17-9-8-14-29(17)15-16-30-24-20(22(28-30)18-10-4-2-5-11-18)21(25)23(26-27-24)19-12-6-3-7-13-19;1-28-14-24-12-17(28)13-29-22-18(20(27-29)15-8-4-2-5-9-15)19(23)21(25-26-22)16-10-6-3-7-11-16;23-19-18-20(16-7-3-1-4-8-16)27-29(14-13-28-12-11-24-15-28)22(18)26-25-21(19)17-9-5-2-6-10-17;1-2-13-25-20-16(18(24-25)14-9-5-3-6-10-14)17(21)19(22-23-20)15-11-7-4-8-12-15/h2-7,10-13H,1,8-9,14-16H2;2-12,14H,13H2,1H3;1-12,15H,13-14H2;3-12H,2,13H2,1H3.

What are the key properties of 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1566.51 g/mol, XLogP of 19.95, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[(3-methylimidazol-4-yl)methyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 158421194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).