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

C16H23N5O — CID 56780524

IUPAC3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2C(C)c2nc(C3CC3)no2)c1
InChIInChI=1S/C16H23N5O/c1-11-8-17-20(9-11)10-14-4-3-7-21(14)12(2)16-18-15(19-22-16)13-5-6-13/h8-9,12-14H,3-7,10H2,1-2H3
InChIKeyCQGFGTAKQMXEPB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.68
Rot. Bonds5

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

3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 56780524) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID56780524
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2C(C)c2nc(C3CC3)no2)c1
InChIInChI=1S/C16H23N5O/c1-11-8-17-20(9-11)10-14-4-3-7-21(14)12(2)16-18-15(19-22-16)13-5-6-13/h8-9,12-14H,3-7,10H2,1-2H3
InChIKeyCQGFGTAKQMXEPB-UHFFFAOYSA-N
XLogP2.68
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 56780524) is 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1cnn(CC2CCCN2C(C)c2nc(C3CC3)no2)c1.
What is the InChIKey of 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is CQGFGTAKQMXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-8-17-20(9-11)10-14-4-3-7-21(14)12(2)16-18-15(19-22-16)13-5-6-13/h8-9,12-14H,3-7,10H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).