2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane

C101H86Cl5FN20O5 — CID 158371583

IUPAC2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane
SMILESC.CC(CO)n1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cc1cc(F)cc(-c2nn(CCO)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1cccc(-c2nn(CCO)c3nnc(-c4ccccc4)c(Cl)c23)c1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2C1COC1
InChIInChI=1S/C20H16ClFN4O.C20H15ClN4O.3C20H17ClN4O.CH4/c1-12-9-14(11-15(22)10-12)18-16-17(21)19(13-5-3-2-4-6-13)23-24-20(16)26(25-18)7-8-27;21-17-16-18(13-7-3-1-4-8-13)24-25(15-11-26-12-15)20(16)23-22-19(17)14-9-5-2-6-10-14;1-26-13-12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15;1-13(12-26)25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15;1-13-6-5-9-15(12-13)18-16-17(21)19(14-7-3-2-4-8-14)22-23-20(16)25(24-18)10-11-26;/h2-6,9-11,27H,7-8H2,1H3;1-10,15H,11-12H2;2-11H,12-13H2,1H3;2-11,13,26H,12H2,1H3;2-9,12,26H,10-11H2,1H3;1H4
InChIKeyGURGFPFFSRUNOO-UHFFFAOYSA-N
MW1856.20 g/mol
LogP22.22
Rot. Bonds20

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane (PubChem CID 158371583) has the molecular formula C101H86Cl5FN20O5 and a molecular weight of 1856.20 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane.

Molecular Properties

Compound Name2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane
PubChem CID158371583
Molecular FormulaC101H86Cl5FN20O5
Molecular Weight1856.20 g/mol
Exact Mass1852.55
IUPAC Name2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane
SMILESC.CC(CO)n1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cc1cc(F)cc(-c2nn(CCO)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1cccc(-c2nn(CCO)c3nnc(-c4ccccc4)c(Cl)c23)c1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2C1COC1
InChIInChI=1S/C20H16ClFN4O.C20H15ClN4O.3C20H17ClN4O.CH4/c1-12-9-14(11-15(22)10-12)18-16-17(21)19(13-5-3-2-4-6-13)23-24-20(16)26(25-18)7-8-27;21-17-16-18(13-7-3-1-4-8-13)24-25(15-11-26-12-15)20(16)23-22-19(17)14-9-5-2-6-10-14;1-26-13-12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15;1-13(12-26)25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15;1-13-6-5-9-15(12-13)18-16-17(21)19(14-7-3-2-4-8-14)22-23-20(16)25(24-18)10-11-26;/h2-6,9-11,27H,7-8H2,1H3;1-10,15H,11-12H2;2-11H,12-13H2,1H3;2-11,13,26H,12H2,1H3;2-9,12,26H,10-11H2,1H3;1H4
InChIKeyGURGFPFFSRUNOO-UHFFFAOYSA-N
XLogP22.22
TPSA297.15 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001856.20
LogP ≤ 522.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane?
The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane (CID 158371583) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane.
What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane?
The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane is C.CC(CO)n1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cc1cc(F)cc(-c2nn(CCO)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1cccc(-c2nn(CCO)c3nnc(-c4ccccc4)c(Cl)c23)c1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2C1COC1.
What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane?
The InChIKey is GURGFPFFSRUNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O.C20H15ClN4O.3C20H17ClN4O.CH4/c1-12-9-14(11-15(22)10-12)18-16-17(21)19(13-5-3-2-4-6-13)23-24-20(16)26(25-18)7-8-27;21-17-16-18(13-7-3-1-4-8-13)24-25(15-11-26-12-15)20(16)23-22-19(17)14-9-5-2-6-10-14;1-26-13-12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15;1-13(12-26)25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15;1-13-6-5-9-15(12-13)18-16-17(21)19(14-7-3-2-4-8-14)22-23-20(16)25(24-18)10-11-26;/h2-6,9-11,27H,7-8H2,1H3;1-10,15H,11-12H2;2-11H,12-13H2,1H3;2-11,13,26H,12H2,1H3;2-9,12,26H,10-11H2,1H3;1H4.
What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane?
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane has a molecular weight of 1856.20 g/mol, XLogP of 22.22, 20 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-1-ol;2-[4-chloro-3-(3-fluoro-5-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(2-methoxyethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol;4-chloro-1-(oxetan-3-yl)-3,5-diphenylpyrazolo[3,4-c]pyridazine;methane is sourced from PubChem (CID 158371583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).