2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole

C24H17ClN4O2 — CID 90643447

IUPAC2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C24H17ClN4O2/c1-30-20-13-9-16(10-14-20)22-21(15-29(28-22)19-5-3-2-4-6-19)24-27-26-23(31-24)17-7-11-18(25)12-8-17/h2-15H,1H3
InChIKeyRLNWGQPGXIQIAR-UHFFFAOYSA-N
MW428.88 g/mol
LogP5.92
Rot. Bonds5

About 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 90643447) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID90643447
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC Name2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C24H17ClN4O2/c1-30-20-13-9-16(10-14-20)22-21(15-29(28-22)19-5-3-2-4-6-19)24-27-26-23(31-24)17-7-11-18(25)12-8-17/h2-15H,1H3
InChIKeyRLNWGQPGXIQIAR-UHFFFAOYSA-N
XLogP5.92
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.88
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole (CID 90643447) is 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is RLNWGQPGXIQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c1-30-20-13-9-16(10-14-20)22-21(15-29(28-22)19-5-3-2-4-6-19)24-27-26-23(31-24)17-7-11-18(25)12-8-17/h2-15H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 428.88 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 90643447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).