2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine

C81H66Cl4N18O3 — CID 162012210

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine (PubChem CID 162012210) has the molecular formula C81H66Cl4N18O3 and a molecular weight of 1481.35 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine
• PubChem CID: 162012210
• Molecular Formula: C81H66Cl4N18O3
• Molecular Weight: 1481.35 g/mol
• Exact Mass: 1478.43
• IUPAC Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine
• SMILES: CN(C)CCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCCC1.O=C(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
• InChI: InChI=1S/C23H20ClN5O.C21H20ClN5.C19H13ClN4O2.C18H13ClN4/c24-20-19-21(16-9-3-1-4-10-16)27-29(15-18(30)28-13-7-8-14-28)23(19)26-25-22(20)17-11-5-2-6-12-17;1-26(2)13-14-27-21-17(19(25-27)15-9-5-3-6-10-15)18(22)20(23-24-21)16-11-7-4-8-12-16;20-16-15-17(12-7-3-1-4-8-12)23-24(11-14(25)26)19(15)22-21-18(16)13-9-5-2-6-10-13;1-23-18-14(16(22-23)12-8-4-2-5-9-12)15(19)17(20-21-18)13-10-6-3-7-11-13/h1-6,9-12H,7-8,13-15H2;3-12H,13-14H2,1-2H3;1-10H,11H2,(H,25,26);2-11H,1H3
• InChIKey: YTPVKRCXHSZJRK-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 235.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.35
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine (CID 162012210) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine is CN(C)CCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCCC1.O=C(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.

What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The InChIKey is YTPVKRCXHSZJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O.C21H20ClN5.C19H13ClN4O2.C18H13ClN4/c24-20-19-21(16-9-3-1-4-10-16)27-29(15-18(30)28-13-7-8-14-28)23(19)26-25-22(20)17-11-5-2-6-12-17;1-26(2)13-14-27-21-17(19(25-27)15-9-5-3-6-10-15)18(22)20(23-24-21)16-11-7-4-8-12-16;20-16-15-17(12-7-3-1-4-8-12)23-24(11-14(25)26)19(15)22-21-18(16)13-9-5-2-6-10-13;1-23-18-14(16(22-23)12-8-4-2-5-9-12)15(19)17(20-21-18)13-10-6-3-7-11-13/h1-6,9-12H,7-8,13-15H2;3-12H,13-14H2,1-2H3;1-10H,11H2,(H,25,26);2-11H,1H3.

What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine?

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1481.35 g/mol, XLogP of 17.06, 15 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 162012210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).