4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one

C12H19N5O2 — CID 115290708

IUPAC4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H19N5O2/c1-3-9-11(18)14-4-5-17(9)12(19)10(13)8-6-15-16(2)7-8/h6-7,9-10H,3-5,13H2,1-2H3,(H,14,18)
InChIKeySQUQBSFBOLXNIN-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.84
Rot. Bonds3

About 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one

4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one (PubChem CID 115290708) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
PubChem CID115290708
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H19N5O2/c1-3-9-11(18)14-4-5-17(9)12(19)10(13)8-6-15-16(2)7-8/h6-7,9-10H,3-5,13H2,1-2H3,(H,14,18)
InChIKeySQUQBSFBOLXNIN-UHFFFAOYSA-N
XLogP-0.84
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone
CID 115290754
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115290930
2-amino-1-(3-methylmorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 113279808
4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one
CID 81088563
2-amino-1-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290675
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780342
2-amino-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 107220716
2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115289498
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one (CID 115290708) is 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one?
The InChIKey is SQUQBSFBOLXNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-9-11(18)14-4-5-17(9)12(19)10(13)8-6-15-16(2)7-8/h6-7,9-10H,3-5,13H2,1-2H3,(H,14,18).
What are the key properties of 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one?
4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 115290708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).