1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile

C27H16N6O — CID 71739777

IUPAC1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2nnc(-c3ccccc3)c3nocc23)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H16N6O/c28-16-21-25(24-22-17-34-32-26(22)23(29-30-24)18-10-4-1-5-11-18)31-33(20-14-8-3-9-15-20)27(21)19-12-6-2-7-13-19/h1-15,17H
InChIKeyAXBZIDWZIHOEQO-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.68
Rot. Bonds4

About 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile

1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile (PubChem CID 71739777) has the molecular formula C27H16N6O and a molecular weight of 440.47 g/mol. Its IUPAC name is 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile
PubChem CID71739777
Molecular FormulaC27H16N6O
Molecular Weight440.47 g/mol
Exact Mass440.14
IUPAC Name1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2nnc(-c3ccccc3)c3nocc23)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H16N6O/c28-16-21-25(24-22-17-34-32-26(22)23(29-30-24)18-10-4-1-5-11-18)31-33(20-14-8-3-9-15-20)27(21)19-12-6-2-7-13-19/h1-15,17H
InChIKeyAXBZIDWZIHOEQO-UHFFFAOYSA-N
XLogP5.68
TPSA93.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-5-phenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile
CID 71739778
3-[7-(4-cyano-1,5-diphenylpyrazol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50905811
3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,5-diphenylpyrazole-4-carbonitrile
CID 46895540
3-(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-1,5-diphenylpyrazole-4-carbonitrile
CID 46895785
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile
CID 46183585
3-phenylcinnoline-4-carbonitrile
CID 10868127
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine
CID 11566894
5-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile
CID 163213009
1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine
CID 141114308
1,3,5-triphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 101449994
2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one
CID 10622967

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile (CID 71739777) is 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile is N#Cc1c(-c2nnc(-c3ccccc3)c3nocc23)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile?
The InChIKey is AXBZIDWZIHOEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N6O/c28-16-21-25(24-22-17-34-32-26(22)23(29-30-24)18-10-4-1-5-11-18)31-33(20-14-8-3-9-15-20)27(21)19-12-6-2-7-13-19/h1-15,17H.
What are the key properties of 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile?
1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile has a molecular weight of 440.47 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 71739777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).