2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C23H17N5O — CID 90643445

IUPAC2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C23H17N5O/c1-16-7-9-17(10-8-16)21-20(15-28(27-21)19-5-3-2-4-6-19)23-26-25-22(29-23)18-11-13-24-14-12-18/h2-15H,1H3
InChIKeyXDTTYINKCXQPSK-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.96
Rot. Bonds4

About 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 90643445) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID90643445
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C23H17N5O/c1-16-7-9-17(10-8-16)21-20(15-28(27-21)19-5-3-2-4-6-19)23-26-25-22(29-23)18-11-13-24-14-12-18/h2-15H,1H3
InChIKeyXDTTYINKCXQPSK-UHFFFAOYSA-N
XLogP4.96
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 90643445) is 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is XDTTYINKCXQPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-16-7-9-17(10-8-16)21-20(15-28(27-21)19-5-3-2-4-6-19)23-26-25-22(29-23)18-11-13-24-14-12-18/h2-15H,1H3.
What are the key properties of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 379.42 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 90643445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).