N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine

C17H26N6O — CID 75373782

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCN(Cc1noc(C2CC2)n1)C1CCN(CCc2cnn(C)c2)C1
InChIInChI=1S/C17H26N6O/c1-21(12-16-19-17(24-20-16)14-3-4-14)15-6-8-23(11-15)7-5-13-9-18-22(2)10-13/h9-10,14-15H,3-8,11-12H2,1-2H3
InChIKeyBIFKSQMSDMSKGJ-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.43
Rot. Bonds7

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (PubChem CID 75373782) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
PubChem CID75373782
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCN(Cc1noc(C2CC2)n1)C1CCN(CCc2cnn(C)c2)C1
InChIInChI=1S/C17H26N6O/c1-21(12-16-19-17(24-20-16)14-3-4-14)15-6-8-23(11-15)7-5-13-9-18-22(2)10-13/h9-10,14-15H,3-8,11-12H2,1-2H3
InChIKeyBIFKSQMSDMSKGJ-UHFFFAOYSA-N
XLogP1.43
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (CID 75373782) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is CN(Cc1noc(C2CC2)n1)C1CCN(CCc2cnn(C)c2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is BIFKSQMSDMSKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-21(12-16-19-17(24-20-16)14-3-4-14)15-6-8-23(11-15)7-5-13-9-18-22(2)10-13/h9-10,14-15H,3-8,11-12H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 75373782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).