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

C11H17N5O2 — CID 66124902

IUPAC4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one
SMILESCCc1nn(C)c(C(=O)N2CCNC(=O)C2)c1N
InChIInChI=1S/C11H17N5O2/c1-3-7-9(12)10(15(2)14-7)11(18)16-5-4-13-8(17)6-16/h3-6,12H2,1-2H3,(H,13,17)
InChIKeyPIRGZZHZFVOWNH-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.86
Rot. Bonds2

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

4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one (PubChem CID 66124902) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one
PubChem CID66124902
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one
SMILESCCc1nn(C)c(C(=O)N2CCNC(=O)C2)c1N
InChIInChI=1S/C11H17N5O2/c1-3-7-9(12)10(15(2)14-7)11(18)16-5-4-13-8(17)6-16/h3-6,12H2,1-2H3,(H,13,17)
InChIKeyPIRGZZHZFVOWNH-UHFFFAOYSA-N
XLogP-0.86
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 66118459
7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095534
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 66125702
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504933
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4,4-diethylpiperidin-1-yl)methanone
CID 66119490
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1,4-thiazepan-4-yl)methanone
CID 66123388
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone
CID 66124511
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205766
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66116549
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione
CID 66123250
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966894
4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one
CID 66017461

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one (CID 66124902) is 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one is CCc1nn(C)c(C(=O)N2CCNC(=O)C2)c1N.
What is the InChIKey of 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is PIRGZZHZFVOWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-7-9(12)10(15(2)14-7)11(18)16-5-4-13-8(17)6-16/h3-6,12H2,1-2H3,(H,13,17).
What are the key properties of 4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one?
4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.86, 2 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)piperazin-2-one is sourced from PubChem (CID 66124902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).