4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine

C21H15N7O — CID 139219683

IUPAC4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine
SMILESNc1c(-c2nnc(-c3ccccc3)o2)cnn1-c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C21H15N7O/c22-19-16(21-27-26-20(29-21)15-9-5-2-6-10-15)13-23-28(19)18-12-11-17(24-25-18)14-7-3-1-4-8-14/h1-13H,22H2
InChIKeyLSYAPMKTWLUCCA-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.63
Rot. Bonds4

About 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine

4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine (PubChem CID 139219683) has the molecular formula C21H15N7O and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine
PubChem CID139219683
Molecular FormulaC21H15N7O
Molecular Weight381.40 g/mol
Exact Mass381.13
IUPAC Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine
SMILESNc1c(-c2nnc(-c3ccccc3)o2)cnn1-c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C21H15N7O/c22-19-16(21-27-26-20(29-21)15-9-5-2-6-10-15)13-23-28(19)18-12-11-17(24-25-18)14-7-3-1-4-8-14/h1-13H,22H2
InChIKeyLSYAPMKTWLUCCA-UHFFFAOYSA-N
XLogP3.63
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine?
The IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine (CID 139219683) is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine?
The canonical SMILES for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine is Nc1c(-c2nnc(-c3ccccc3)o2)cnn1-c1ccc(-c2ccccc2)nn1.
What is the InChIKey of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine?
The InChIKey is LSYAPMKTWLUCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O/c22-19-16(21-27-26-20(29-21)15-9-5-2-6-10-15)13-23-28(19)18-12-11-17(24-25-18)14-7-3-1-4-8-14/h1-13H,22H2.
What are the key properties of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine?
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine has a molecular weight of 381.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine is sourced from PubChem (CID 139219683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).