4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine

C102H76Cl5FN24O6 — CID 158667173

IUPAC4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
SMILESCOc1ccc(-c2nnc3c(c(-c4ccccc4)nn3C)c2Cl)cc1.Clc1c(-c2ccccc2)nnc2[nH]nc(-c3ccccc3)c12.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3cccc(F)c3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)NCCCCc1ccc([N+](=O)[O-])c2nonc12.OCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C29H23ClN8O4.2C19H15ClN4O.C18H12ClFN4.C17H11ClN4/c30-24-23-25(18-9-3-1-4-10-18)34-37(29(23)33-32-26(24)19-11-5-2-6-12-19)17-22(39)31-16-8-7-13-20-14-15-21(38(40)41)28-27(20)35-42-36-28;1-24-19-15(17(23-24)12-6-4-3-5-7-12)16(20)18(21-22-19)13-8-10-14(25-2)11-9-13;20-16-15-17(13-7-3-1-4-8-13)23-24(11-12-25)19(15)22-21-18(16)14-9-5-2-6-10-14;1-24-18-14(16(23-24)11-6-3-2-4-7-11)15(19)17(21-22-18)12-8-5-9-13(20)10-12;18-14-13-15(11-7-3-1-4-8-11)19-21-17(13)22-20-16(14)12-9-5-2-6-10-12/h1-6,9-12,14-15H,7-8,13,16-17H2,(H,31,39);3-11H,1-2H3;1-10,25H,11-12H2;2-10H,1H3;1-10H,(H,19,21,22)
InChIKeyXHHMDEVLXGCDRX-UHFFFAOYSA-N
MW1930.15 g/mol
LogP22.39
Rot. Bonds21

About 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine

4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 158667173) has the molecular formula C102H76Cl5FN24O6 and a molecular weight of 1930.15 g/mol. Its IUPAC name is 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
PubChem CID158667173
Molecular FormulaC102H76Cl5FN24O6
Molecular Weight1930.15 g/mol
Exact Mass1926.48
IUPAC Name4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
SMILESCOc1ccc(-c2nnc3c(c(-c4ccccc4)nn3C)c2Cl)cc1.Clc1c(-c2ccccc2)nnc2[nH]nc(-c3ccccc3)c12.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3cccc(F)c3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)NCCCCc1ccc([N+](=O)[O-])c2nonc12.OCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C29H23ClN8O4.2C19H15ClN4O.C18H12ClFN4.C17H11ClN4/c30-24-23-25(18-9-3-1-4-10-18)34-37(29(23)33-32-26(24)19-11-5-2-6-12-19)17-22(39)31-16-8-7-13-20-14-15-21(38(40)41)28-27(20)35-42-36-28;1-24-19-15(17(23-24)12-6-4-3-5-7-12)16(20)18(21-22-19)13-8-10-14(25-2)11-9-13;20-16-15-17(13-7-3-1-4-8-13)23-24(11-12-25)19(15)22-21-18(16)14-9-5-2-6-10-14;1-24-18-14(16(23-24)11-6-3-2-4-7-11)15(19)17(21-22-18)12-8-5-9-13(20)10-12;18-14-13-15(11-7-3-1-4-8-11)19-21-17(13)22-20-16(14)12-9-5-2-6-10-12/h1-6,9-12,14-15H,7-8,13,16-17H2,(H,31,39);3-11H,1-2H3;1-10,25H,11-12H2;2-10H,1H3;1-10H,(H,19,21,22)
InChIKeyXHHMDEVLXGCDRX-UHFFFAOYSA-N
XLogP22.39
TPSA369.48 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.15
LogP ≤ 522.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine (CID 158667173) is 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine is COc1ccc(-c2nnc3c(c(-c4ccccc4)nn3C)c2Cl)cc1.Clc1c(-c2ccccc2)nnc2[nH]nc(-c3ccccc3)c12.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3cccc(F)c3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)NCCCCc1ccc([N+](=O)[O-])c2nonc12.OCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.
What is the InChIKey of 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?
The InChIKey is XHHMDEVLXGCDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN8O4.2C19H15ClN4O.C18H12ClFN4.C17H11ClN4/c30-24-23-25(18-9-3-1-4-10-18)34-37(29(23)33-32-26(24)19-11-5-2-6-12-19)17-22(39)31-16-8-7-13-20-14-15-21(38(40)41)28-27(20)35-42-36-28;1-24-19-15(17(23-24)12-6-4-3-5-7-12)16(20)18(21-22-19)13-8-10-14(25-2)11-9-13;20-16-15-17(13-7-3-1-4-8-13)23-24(11-12-25)19(15)22-21-18(16)14-9-5-2-6-10-14;1-24-18-14(16(23-24)11-6-3-2-4-7-11)15(19)17(21-22-18)12-8-5-9-13(20)10-12;18-14-13-15(11-7-3-1-4-8-11)19-21-17(13)22-20-16(14)12-9-5-2-6-10-12/h1-6,9-12,14-15H,7-8,13,16-17H2,(H,31,39);3-11H,1-2H3;1-10,25H,11-12H2;2-10H,1H3;1-10H,(H,19,21,22).
What are the key properties of 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?
4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1930.15 g/mol, XLogP of 22.39, 21 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)butyl]acetamide;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(4-methoxyphenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 158667173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).