5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one

C18H20N6O3 — CID 91792457

About 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one

5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 91792457) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
• PubChem CID: 91792457
• Molecular Formula: C18H20N6O3
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.16
• IUPAC Name: 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
• SMILES: Cc1nc(CN2CCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)CC2)no1
• InChI: InChI=1S/C18H20N6O3/c1-13-19-16(21-27-13)12-22-7-9-23(10-8-22)18(26)15-11-17(25)24(20-15)14-5-3-2-4-6-14/h2-6,11,20H,7-10,12H2,1H3
• InChIKey: WFVVREKSUQLMIP-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 100.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.40
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?

The IUPAC name of 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one (CID 91792457) is 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one.

What is the SMILES notation for 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?

The canonical SMILES for 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one is Cc1nc(CN2CCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)CC2)no1.

What is the InChIKey of 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?

The InChIKey is WFVVREKSUQLMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-13-19-16(21-27-13)12-22-7-9-23(10-8-22)18(26)15-11-17(25)24(20-15)14-5-3-2-4-6-14/h2-6,11,20H,7-10,12H2,1H3.

What are the key properties of 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?

5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 368.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 91792457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).