N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine

C24H19N5 — CID 10292979

IUPACN-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESc1ccc(CNc2n[nH]c3nnc(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H19N5/c1-4-10-17(11-5-1)16-25-23-21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)26-28-24(21)29-27-23/h1-15H,16H2,(H2,25,27,28,29)
InChIKeyYXSOEVGTYLQJGE-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.30
Rot. Bonds5

About N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine

N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 10292979) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID10292979
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC NameN-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESc1ccc(CNc2n[nH]c3nnc(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H19N5/c1-4-10-17(11-5-1)16-25-23-21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)26-28-24(21)29-27-23/h1-15H,16H2,(H2,25,27,28,29)
InChIKeyYXSOEVGTYLQJGE-UHFFFAOYSA-N
XLogP5.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine (CID 10292979) is N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine is c1ccc(CNc2n[nH]c3nnc(-c4ccccc4)c(-c4ccccc4)c23)cc1.
What is the InChIKey of N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is YXSOEVGTYLQJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-4-10-17(11-5-1)16-25-23-21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)26-28-24(21)29-27-23/h1-15H,16H2,(H2,25,27,28,29).
What are the key properties of N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine?
N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 377.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 10292979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).