3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C11H15N5O — CID 79371093

IUPAC3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C11H15N5O/c1-7-8(3-5-12-7)11-13-10(15-17-11)9-4-6-16(2)14-9/h4,6-8,12H,3,5H2,1-2H3
InChIKeySBLFCGWHSZHRMN-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.94
Rot. Bonds2

About 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 79371093) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID79371093
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C11H15N5O/c1-7-8(3-5-12-7)11-13-10(15-17-11)9-4-6-16(2)14-9/h4,6-8,12H,3,5H2,1-2H3
InChIKeySBLFCGWHSZHRMN-UHFFFAOYSA-N
XLogP0.94
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylpyrrolidin-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 79371542
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65198281
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 102894678
(3S,5R)-5-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812820
5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 167967118
N-ethyl-N-methyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116808318
3-(4-cyclohexyloxyphenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 167936876
5-(2-methylpyrrolidin-3-yl)-3-(2-nitrophenyl)-1,2,4-oxadiazole
CID 79371049
3-cyclopropyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79369015
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715
3-(2-methyl-5-nitrophenyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371051
3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
CID 65262959

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 79371093) is 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is CC1NCCC1c1nc(-c2ccn(C)n2)no1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is SBLFCGWHSZHRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-8(3-5-12-7)11-13-10(15-17-11)9-4-6-16(2)14-9/h4,6-8,12H,3,5H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 233.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79371093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).