5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine

C17H13N5O — CID 702070

IUPAC5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1
InChIInChI=1S/C17H13N5O/c18-17-20-19-16(23-17)14-11-22(13-9-5-2-6-10-13)21-15(14)12-7-3-1-4-8-12/h1-11H,(H2,18,20)
InChIKeyGVQVMCQVJXPXOI-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.17
Rot. Bonds3

About 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine

5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 702070) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID702070
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1
InChIInChI=1S/C17H13N5O/c18-17-20-19-16(23-17)14-11-22(13-9-5-2-6-10-13)21-15(14)12-7-3-1-4-8-12/h1-11H,(H2,18,20)
InChIKeyGVQVMCQVJXPXOI-UHFFFAOYSA-N
XLogP3.17
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3,4-oxadiazol-2-amine
CID 2729879
N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 8903085
methyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 827499
2-[3-(4-Nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934258
2-(1,3-Diphenyl-1H-pyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
CID 46934113
N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 8903086
2-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934114
2-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934115
2-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 90643437
2-(4-Chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 90643439
2-(4-Chlorophenyl)-5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 90643440
2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 985777

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine (CID 702070) is 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1.
What is the InChIKey of 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GVQVMCQVJXPXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-17-20-19-16(23-17)14-11-22(13-9-5-2-6-10-13)21-15(14)12-7-3-1-4-8-12/h1-11H,(H2,18,20).
What are the key properties of 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine?
5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 303.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 702070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).