1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile

C17H23N7O — CID 97217379

About 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile

1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile (PubChem CID 97217379) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
• PubChem CID: 97217379
• Molecular Formula: C17H23N7O
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.20
• IUPAC Name: 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
• SMILES: CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(CCn2cc(C#N)cn2)C1
• InChI: InChI=1S/C17H23N7O/c1-22(12-16-20-17(25-21-16)14-2-3-14)15-4-5-23(11-15)6-7-24-10-13(8-18)9-19-24/h9-10,14-15H,2-7,11-12H2,1H3/t15-/m1/s1
• InChIKey: PKFDFNRLLQAWPX-OAHLLOKOSA-N
• XLogP: 1.22
• TPSA: 87.01 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile?

The IUPAC name of 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile (CID 97217379) is 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile.

What is the SMILES notation for 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile?

The canonical SMILES for 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile is CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(CCn2cc(C#N)cn2)C1.

What is the InChIKey of 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile?

The InChIKey is PKFDFNRLLQAWPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N7O/c1-22(12-16-20-17(25-21-16)14-2-3-14)15-4-5-23(11-15)6-7-24-10-13(8-18)9-19-24/h9-10,14-15H,2-7,11-12H2,1H3/t15-/m1/s1.

What are the key properties of 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile?

1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile has a molecular weight of 341.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 97217379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).