5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine

C17H12FN5 — CID 85068677

IUPAC5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1n[nH]c2nnc(-c3ccc(F)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C17H12FN5/c18-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(19)21-23-17(14)22-20-15/h1-9H,(H3,19,21,22,23)
InChIKeyJMAGLEWPHWZICN-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.41
Rot. Bonds2

About 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine

5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 85068677) has the molecular formula C17H12FN5 and a molecular weight of 305.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID85068677
Molecular FormulaC17H12FN5
Molecular Weight305.32 g/mol
Exact Mass305.11
IUPAC Name5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1n[nH]c2nnc(-c3ccc(F)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C17H12FN5/c18-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(19)21-23-17(14)22-20-15/h1-9H,(H3,19,21,22,23)
InChIKeyJMAGLEWPHWZICN-UHFFFAOYSA-N
XLogP3.41
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine (CID 85068677) is 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine is Nc1n[nH]c2nnc(-c3ccc(F)cc3)c(-c3ccccc3)c12.
What is the InChIKey of 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is JMAGLEWPHWZICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5/c18-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(19)21-23-17(14)22-20-15/h1-9H,(H3,19,21,22,23).
What are the key properties of 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 305.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 85068677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).