5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine

C17H12ClN5O — CID 2729879

IUPAC5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H12ClN5O/c18-12-8-6-11(7-9-12)15-14(16-20-21-17(19)24-16)10-23(22-15)13-4-2-1-3-5-13/h1-10H,(H2,19,21)
InChIKeyUNFDCRIDJOHUHP-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.82
Rot. Bonds3

About 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine

5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 2729879) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine
PubChem CID2729879
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H12ClN5O/c18-12-8-6-11(7-9-12)15-14(16-20-21-17(19)24-16)10-23(22-15)13-4-2-1-3-5-13/h1-10H,(H2,19,21)
InChIKeyUNFDCRIDJOHUHP-UHFFFAOYSA-N
XLogP3.82
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine (CID 2729879) is 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UNFDCRIDJOHUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c18-12-8-6-11(7-9-12)15-14(16-20-21-17(19)24-16)10-23(22-15)13-4-2-1-3-5-13/h1-10H,(H2,19,21).
What are the key properties of 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine?
5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 337.77 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 2729879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).