5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide

C25H20N6O2 — CID 90562411

About 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide

5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 90562411) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide
• PubChem CID: 90562411
• Molecular Formula: C25H20N6O2
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.16
• IUPAC Name: 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)cnn1-c1ccccc1
• InChI: InChI=1S/C25H20N6O2/c1-17-21(16-27-31(17)20-10-3-2-4-11-20)25(32)28-22-12-6-5-8-18(22)14-23-29-24(30-33-23)19-9-7-13-26-15-19/h2-13,15-16H,14H2,1H3,(H,28,32)
• InChIKey: BPFQJWABTLZFNK-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.48
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide (CID 90562411) is 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)cnn1-c1ccccc1.

What is the InChIKey of 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide?

The InChIKey is BPFQJWABTLZFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-17-21(16-27-31(17)20-10-3-2-4-11-20)25(32)28-22-12-6-5-8-18(22)14-23-29-24(30-33-23)19-9-7-13-26-15-19/h2-13,15-16H,14H2,1H3,(H,28,32).

What are the key properties of 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide?

5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 90562411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).