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

C13H19N5O — CID 56780488

IUPAC5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2Cc2noc(C)n2)c1
InChIInChI=1S/C13H19N5O/c1-10-6-14-18(7-10)8-12-4-3-5-17(12)9-13-15-11(2)19-16-13/h6-7,12H,3-5,8-9H2,1-2H3
InChIKeyJRVXRBQDTMIHMV-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.55
Rot. Bonds4

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

5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780488) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780488
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2Cc2noc(C)n2)c1
InChIInChI=1S/C13H19N5O/c1-10-6-14-18(7-10)8-12-4-3-5-17(12)9-13-15-11(2)19-16-13/h6-7,12H,3-5,8-9H2,1-2H3
InChIKeyJRVXRBQDTMIHMV-UHFFFAOYSA-N
XLogP1.55
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780488) is 5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cnn(CC2CCCN2Cc2noc(C)n2)c1.
What is the InChIKey of 5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is JRVXRBQDTMIHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-6-14-18(7-10)8-12-4-3-5-17(12)9-13-15-11(2)19-16-13/h6-7,12H,3-5,8-9H2,1-2H3.
What are the key properties of 5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).