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

C14H18N6O3 — CID 146069822

IUPAC4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCc1noc(CC2C(=O)NCCN2C(=O)c2cc(C)n(C)n2)n1
InChIInChI=1S/C14H18N6O3/c1-8-6-10(17-19(8)3)14(22)20-5-4-15-13(21)11(20)7-12-16-9(2)18-23-12/h6,11H,4-5,7H2,1-3H3,(H,15,21)
InChIKeyJHOJPJPMHQFQQR-UHFFFAOYSA-N
MW318.34 g/mol
LogP-0.40
Rot. Bonds3

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

4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 146069822) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID146069822
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCc1noc(CC2C(=O)NCCN2C(=O)c2cc(C)n(C)n2)n1
InChIInChI=1S/C14H18N6O3/c1-8-6-10(17-19(8)3)14(22)20-5-4-15-13(21)11(20)7-12-16-9(2)18-23-12/h6,11H,4-5,7H2,1-3H3,(H,15,21)
InChIKeyJHOJPJPMHQFQQR-UHFFFAOYSA-N
XLogP-0.40
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one with MolForge

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Related Compounds

4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069840
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
4-(2,4-difluorophenyl)sulfonyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069950
(3S)-3-benzyl-4-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 42556990
4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 146124789
(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119578302
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069852
4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one
CID 46980097
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (CID 146069822) is 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is Cc1noc(CC2C(=O)NCCN2C(=O)c2cc(C)n(C)n2)n1.
What is the InChIKey of 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is JHOJPJPMHQFQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-8-6-10(17-19(8)3)14(22)20-5-4-15-13(21)11(20)7-12-16-9(2)18-23-12/h6,11H,4-5,7H2,1-3H3,(H,15,21).
What are the key properties of 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 318.34 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazole-3-carbonyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 146069822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).