4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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

C89H74Cl4N20 — CID 158799069

IUPAC4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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
SMILESC=C1CCCN1CCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCn1cccc1.Cn1cncc1Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C24H22ClN5.C23H18ClN5.C22H17ClN6.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;24-20-19-21(17-9-3-1-4-10-17)27-29(16-15-28-13-7-8-14-28)23(19)26-25-22(20)18-11-5-2-6-12-18;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;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;1-14H,15-16H2;2-12,14H,13H2,1H3;3-12H,2,13H2,1H3
InChIKeyITGBTCKZLIDCCP-UHFFFAOYSA-N
MW1565.52 g/mol
LogP20.56
Rot. Bonds18

About 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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 158799069) has the molecular formula C89H74Cl4N20 and a molecular weight of 1565.52 g/mol. Its IUPAC name is 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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 Name4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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 CID158799069
Molecular FormulaC89H74Cl4N20
Molecular Weight1565.52 g/mol
Exact Mass1562.52
IUPAC Name4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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
SMILESC=C1CCCN1CCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCn1cccc1.Cn1cncc1Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C24H22ClN5.C23H18ClN5.C22H17ClN6.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;24-20-19-21(17-9-3-1-4-10-17)27-29(16-15-28-13-7-8-14-28)23(19)26-25-22(20)18-11-5-2-6-12-18;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;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;1-14H,15-16H2;2-12,14H,13H2,1H3;3-12H,2,13H2,1H3
InChIKeyITGBTCKZLIDCCP-UHFFFAOYSA-N
XLogP20.56
TPSA200.39 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001565.52
LogP ≤ 520.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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 158799069) is 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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)nn2CCn1cccc1.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-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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 ITGBTCKZLIDCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5.C23H18ClN5.C22H17ClN6.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;24-20-19-21(17-9-3-1-4-10-17)27-29(16-15-28-13-7-8-14-28)23(19)26-25-22(20)18-11-5-2-6-12-18;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;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;1-14H,15-16H2;2-12,14H,13H2,1H3;3-12H,2,13H2,1H3.
What are the key properties of 4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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 1565.52 g/mol, XLogP of 20.56, 18 rotatable bonds, 0 hydrogen bond donors, and 20 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-3,5-diphenyl-1-(2-pyrrol-1-ylethyl)pyrazolo[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 158799069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).