N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide

C24H17N5O — CID 10135042

IUPACN-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1
InChIInChI=1S/C24H17N5O/c30-24(18-14-8-3-9-15-18)25-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)26-28-23(20)29-27-22/h1-15H,(H2,25,27,28,29,30)
InChIKeyCBJZXSKIVHGDPX-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.94
Rot. Bonds4

About N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide

N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide (PubChem CID 10135042) has the molecular formula C24H17N5O and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide
PubChem CID10135042
Molecular FormulaC24H17N5O
Molecular Weight391.43 g/mol
Exact Mass391.14
IUPAC NameN-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1
InChIInChI=1S/C24H17N5O/c30-24(18-14-8-3-9-15-18)25-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)26-28-23(20)29-27-22/h1-15H,(H2,25,27,28,29,30)
InChIKeyCBJZXSKIVHGDPX-UHFFFAOYSA-N
XLogP4.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)carbamodithioate);iron(2+)
CID 46243645
N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565036
5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 85068677
N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide
CID 23910989
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565044
4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 59735098
N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide
CID 91869386
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide?
The IUPAC name of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide (CID 10135042) is N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide.
What is the SMILES notation for N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide?
The canonical SMILES for N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide is O=C(Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1.
What is the InChIKey of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide?
The InChIKey is CBJZXSKIVHGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O/c30-24(18-14-8-3-9-15-18)25-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)26-28-23(20)29-27-22/h1-15H,(H2,25,27,28,29,30).
What are the key properties of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide?
N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide has a molecular weight of 391.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide is sourced from PubChem (CID 10135042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).