4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one

C13H21N5O2 — CID 66118459

IUPAC4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one
SMILESCCc1nn(C)c(C(=O)N2CCNC(=O)C2CC)c1N
InChIInChI=1S/C13H21N5O2/c1-4-8-10(14)11(17(3)16-8)13(20)18-7-6-15-12(19)9(18)5-2/h9H,4-7,14H2,1-3H3,(H,15,19)
InChIKeyFUVDSCFSZRMYTR-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.08
Rot. Bonds3

About 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one

4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one (PubChem CID 66118459) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one
PubChem CID66118459
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one
SMILESCCc1nn(C)c(C(=O)N2CCNC(=O)C2CC)c1N
InChIInChI=1S/C13H21N5O2/c1-4-8-10(14)11(17(3)16-8)13(20)18-7-6-15-12(19)9(18)5-2/h9H,4-7,14H2,1-3H3,(H,15,19)
InChIKeyFUVDSCFSZRMYTR-UHFFFAOYSA-N
XLogP-0.08
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one
CID 63600884
4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63600417
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966894
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504933
3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one
CID 65210016
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
CID 119999095
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 66119062
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one (CID 66118459) is 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one is CCc1nn(C)c(C(=O)N2CCNC(=O)C2CC)c1N.
What is the InChIKey of 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one?
The InChIKey is FUVDSCFSZRMYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-8-10(14)11(17(3)16-8)13(20)18-7-6-15-12(19)9(18)5-2/h9H,4-7,14H2,1-3H3,(H,15,19).
What are the key properties of 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one?
4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one has a molecular weight of 279.34 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 66118459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).