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

C25H20N6O2 — CID 71800507

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

1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide (PubChem CID 71800507) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
• PubChem CID: 71800507
• Molecular Formula: C25H20N6O2
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.16
• IUPAC Name: 1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
• SMILES: Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1
• InChI: InChI=1S/C25H20N6O2/c1-31-22(15-21(29-31)17-8-3-2-4-9-17)25(32)27-20-12-6-5-10-18(20)14-23-28-24(30-33-23)19-11-7-13-26-16-19/h2-13,15-16H,14H2,1H3,(H,27,32)
• InChIKey: KJCPUAMIPVXLMY-UHFFFAOYSA-N
• XLogP: 4.38
• 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	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide (CID 71800507) is 1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide.

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

The canonical SMILES for 1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1.

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

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

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

1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71800507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).