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

C16H23N7O — CID 71872707

IUPAC1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
SMILESCCc1nc(CN(C)C2CCN(CCn3cc(C#N)cn3)C2)no1
InChIInChI=1S/C16H23N7O/c1-3-16-19-15(20-24-16)12-21(2)14-4-5-22(11-14)6-7-23-10-13(8-17)9-18-23/h9-10,14H,3-7,11-12H2,1-2H3
InChIKeySPJLXSHEBAPNRY-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.91
Rot. Bonds7

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

1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile (PubChem CID 71872707) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
PubChem CID71872707
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
SMILESCCc1nc(CN(C)C2CCN(CCn3cc(C#N)cn3)C2)no1
InChIInChI=1S/C16H23N7O/c1-3-16-19-15(20-24-16)12-21(2)14-4-5-22(11-14)6-7-23-10-13(8-17)9-18-23/h9-10,14H,3-7,11-12H2,1-2H3
InChIKeySPJLXSHEBAPNRY-UHFFFAOYSA-N
XLogP0.91
TPSA87.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile (CID 71872707) is 1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile is CCc1nc(CN(C)C2CCN(CCn3cc(C#N)cn3)C2)no1.
What is the InChIKey of 1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile?
The InChIKey is SPJLXSHEBAPNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-3-16-19-15(20-24-16)12-21(2)14-4-5-22(11-14)6-7-23-10-13(8-17)9-18-23/h9-10,14H,3-7,11-12H2,1-2H3.
What are the key properties of 1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile?
1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile has a molecular weight of 329.41 g/mol, XLogP of 0.91, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 71872707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).