4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide

C92H69ClF6IN19O3 — CID 161157421

IUPAC4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide
SMILESC#Cc1ccccc1.CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1.CC(=O)Nc1n[nH]c(-c2cccc(F)c2)c1C#Cc1ccccc1.CC(=O)Nc1n[nH]c(-c2cccc(F)c2)c1I.Fc1cccc(-c2[nH]nc3nnc(-c4ccccc4)c(Cl)c23)c1.Nc1cc(-c2cccc(F)c2)[nH]n1.Nc1n[nH]c(-c2cccc(F)c2)c1C#Cc1ccccc1
InChIInChI=1S/C19H14FN3O.C17H10ClFN4.C17H12FN3.C11H9FIN3O.C11H10FN3O.C9H8FN3.C8H6/c1-13(24)21-19-17(11-10-14-6-3-2-4-7-14)18(22-23-19)15-8-5-9-16(20)12-15;18-14-13-15(11-7-4-8-12(19)9-11)20-22-17(13)23-21-16(14)10-5-2-1-3-6-10;18-14-8-4-7-13(11-14)16-15(17(19)21-20-16)10-9-12-5-2-1-3-6-12;1-6(17)14-11-9(13)10(15-16-11)7-3-2-4-8(12)5-7;1-7(16)13-11-6-10(14-15-11)8-3-2-4-9(12)5-8;10-7-3-1-2-6(4-7)8-5-9(11)13-12-8;1-2-8-6-4-3-5-7-8/h2-9,12H,1H3,(H2,21,22,23,24);1-9H,(H,20,22,23);1-8,11H,(H3,19,20,21);2-5H,1H3,(H2,14,15,16,17);2-6H,1H3,(H2,13,14,15,16);1-5H,(H3,11,12,13);1,3-7H
InChIKeyUPMBXTQUTGVNMN-UHFFFAOYSA-N
MW1765.04 g/mol
LogP19.67
Rot. Bonds10

About 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide

4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 161157421) has the molecular formula C92H69ClF6IN19O3 and a molecular weight of 1765.04 g/mol. Its IUPAC name is 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide
PubChem CID161157421
Molecular FormulaC92H69ClF6IN19O3
Molecular Weight1765.04 g/mol
Exact Mass1763.45
IUPAC Name4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide
SMILESC#Cc1ccccc1.CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1.CC(=O)Nc1n[nH]c(-c2cccc(F)c2)c1C#Cc1ccccc1.CC(=O)Nc1n[nH]c(-c2cccc(F)c2)c1I.Fc1cccc(-c2[nH]nc3nnc(-c4ccccc4)c(Cl)c23)c1.Nc1cc(-c2cccc(F)c2)[nH]n1.Nc1n[nH]c(-c2cccc(F)c2)c1C#Cc1ccccc1
InChIInChI=1S/C19H14FN3O.C17H10ClFN4.C17H12FN3.C11H9FIN3O.C11H10FN3O.C9H8FN3.C8H6/c1-13(24)21-19-17(11-10-14-6-3-2-4-7-14)18(22-23-19)15-8-5-9-16(20)12-15;18-14-13-15(11-7-4-8-12(19)9-11)20-22-17(13)23-21-16(14)10-5-2-1-3-6-10;18-14-8-4-7-13(11-14)16-15(17(19)21-20-16)10-9-12-5-2-1-3-6-12;1-6(17)14-11-9(13)10(15-16-11)7-3-2-4-8(12)5-7;1-7(16)13-11-6-10(14-15-11)8-3-2-4-9(12)5-8;10-7-3-1-2-6(4-7)8-5-9(11)13-12-8;1-2-8-6-4-3-5-7-8/h2-9,12H,1H3,(H2,21,22,23,24);1-9H,(H,20,22,23);1-8,11H,(H3,19,20,21);2-5H,1H3,(H2,14,15,16,17);2-6H,1H3,(H2,13,14,15,16);1-5H,(H3,11,12,13);1,3-7H
InChIKeyUPMBXTQUTGVNMN-UHFFFAOYSA-N
XLogP19.67
TPSA337.20 Ų
H-Bond Donors11
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001765.04
LogP ≤ 519.67
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide (CID 161157421) is 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide is C#Cc1ccccc1.CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1.CC(=O)Nc1n[nH]c(-c2cccc(F)c2)c1C#Cc1ccccc1.CC(=O)Nc1n[nH]c(-c2cccc(F)c2)c1I.Fc1cccc(-c2[nH]nc3nnc(-c4ccccc4)c(Cl)c23)c1.Nc1cc(-c2cccc(F)c2)[nH]n1.Nc1n[nH]c(-c2cccc(F)c2)c1C#Cc1ccccc1.
What is the InChIKey of 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is UPMBXTQUTGVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O.C17H10ClFN4.C17H12FN3.C11H9FIN3O.C11H10FN3O.C9H8FN3.C8H6/c1-13(24)21-19-17(11-10-14-6-3-2-4-7-14)18(22-23-19)15-8-5-9-16(20)12-15;18-14-13-15(11-7-4-8-12(19)9-11)20-22-17(13)23-21-16(14)10-5-2-1-3-6-10;18-14-8-4-7-13(11-14)16-15(17(19)21-20-16)10-9-12-5-2-1-3-6-12;1-6(17)14-11-9(13)10(15-16-11)7-3-2-4-8(12)5-7;1-7(16)13-11-6-10(14-15-11)8-3-2-4-9(12)5-8;10-7-3-1-2-6(4-7)8-5-9(11)13-12-8;1-2-8-6-4-3-5-7-8/h2-9,12H,1H3,(H2,21,22,23,24);1-9H,(H,20,22,23);1-8,11H,(H3,19,20,21);2-5H,1H3,(H2,14,15,16,17);2-6H,1H3,(H2,13,14,15,16);1-5H,(H3,11,12,13);1,3-7H.
What are the key properties of 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide?
4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 1765.04 g/mol, XLogP of 19.67, 10 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 161157421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).