3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one

C15H22N6O2 — CID 91829603

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCN(c3nonc3C)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-11-10-12(2)21(16-11)5-4-14(22)19-6-8-20(9-7-19)15-13(3)17-23-18-15/h10H,4-9H2,1-3H3
InChIKeyJXMXYEDIXWRUQY-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.93
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 91829603) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one
PubChem CID91829603
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCN(c3nonc3C)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-11-10-12(2)21(16-11)5-4-14(22)19-6-8-20(9-7-19)15-13(3)17-23-18-15/h10H,4-9H2,1-3H3
InChIKeyJXMXYEDIXWRUQY-UHFFFAOYSA-N
XLogP0.93
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one (CID 91829603) is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CCN(c3nonc3C)CC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is JXMXYEDIXWRUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-10-12(2)21(16-11)5-4-14(22)19-6-8-20(9-7-19)15-13(3)17-23-18-15/h10H,4-9H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 318.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 91829603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).