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

C17H12FN5 — CID 59735098

IUPAC4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1n[nH]c2nnc(-c3ccccc3)c(-c3cccc(F)c3)c12
InChIInChI=1S/C17H12FN5/c18-12-8-4-7-11(9-12)13-14-16(19)21-23-17(14)22-20-15(13)10-5-2-1-3-6-10/h1-9H,(H3,19,21,22,23)
InChIKeyJHXDLIAMKPRADS-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.41
Rot. Bonds2

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

4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 59735098) has the molecular formula C17H12FN5 and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID59735098
Molecular FormulaC17H12FN5
Molecular Weight305.32 g/mol
Exact Mass305.11
IUPAC Name4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1n[nH]c2nnc(-c3ccccc3)c(-c3cccc(F)c3)c12
InChIInChI=1S/C17H12FN5/c18-12-8-4-7-11(9-12)13-14-16(19)21-23-17(14)22-20-15(13)10-5-2-1-3-6-10/h1-9H,(H3,19,21,22,23)
InChIKeyJHXDLIAMKPRADS-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 4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine (CID 59735098) is 4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine is Nc1n[nH]c2nnc(-c3ccccc3)c(-c3cccc(F)c3)c12.
What is the InChIKey of 4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is JHXDLIAMKPRADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5/c18-12-8-4-7-11(9-12)13-14-16(19)21-23-17(14)22-20-15(13)10-5-2-1-3-6-10/h1-9H,(H3,19,21,22,23).
What are the key properties of 4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
4-(3-fluorophenyl)-5-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 4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 59735098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).