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

C15H21N5O — CID 56780527

IUPAC5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C15H21N5O/c1-11-7-16-20(8-11)9-13-3-2-6-19(13)10-14-17-15(21-18-14)12-4-5-12/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyYTIGHEZGTYMYAV-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.12
Rot. Bonds5

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

5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780527) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780527
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C15H21N5O/c1-11-7-16-20(8-11)9-13-3-2-6-19(13)10-14-17-15(21-18-14)12-4-5-12/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyYTIGHEZGTYMYAV-UHFFFAOYSA-N
XLogP2.12
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780527) is 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cnn(CC2CCCN2Cc2noc(C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is YTIGHEZGTYMYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-7-16-20(8-11)9-13-3-2-6-19(13)10-14-17-15(21-18-14)12-4-5-12/h7-8,12-13H,2-6,9-10H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 287.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).