4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one

C11H17N5O2 — CID 65359260

IUPAC4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one
SMILESCCn1ncc(N)c1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C11H17N5O2/c1-3-16-10(8(12)6-13-16)11(18)15-5-4-14(2)9(17)7-15/h6H,3-5,7,12H2,1-2H3
InChIKeyWQYCCDKJIZIUPA-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.60
Rot. Bonds2

About 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one

4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one (PubChem CID 65359260) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one
PubChem CID65359260
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one
SMILESCCn1ncc(N)c1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C11H17N5O2/c1-3-16-10(8(12)6-13-16)11(18)15-5-4-14(2)9(17)7-15/h6H,3-5,7,12H2,1-2H3
InChIKeyWQYCCDKJIZIUPA-UHFFFAOYSA-N
XLogP-0.60
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135449549
1-({4-nitro-1-methyl-1H-pyrazol-5-yl}carbonyl)-2-methylpiperidine
CID 4129453
4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
1-ethyl-4-nitro-5-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 831955
N-cyclohexyl-2-ethyl-4-nitropyrazole-3-carboxamide
CID 1084303
N-cyclohexyl-2-methyl-4-nitropyrazole-3-carboxamide
CID 745365
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415372
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415406
4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415434
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415439

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one (CID 65359260) is 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one is CCn1ncc(N)c1C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is WQYCCDKJIZIUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-16-10(8(12)6-13-16)11(18)15-5-4-14(2)9(17)7-15/h6H,3-5,7,12H2,1-2H3.
What are the key properties of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one?
4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 65359260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).