3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid

C14H22N4O3 — CID 74231336

IUPAC3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid
SMILESCCN1CCN(Cc2cnn(CCC(=O)O)c2)C(C)C1=O
InChIInChI=1S/C14H22N4O3/c1-3-16-6-7-17(11(2)14(16)21)9-12-8-15-18(10-12)5-4-13(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyBDQSSRIOQABJHZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.41
Rot. Bonds6

About 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid

3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid (PubChem CID 74231336) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid
PubChem CID74231336
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid
SMILESCCN1CCN(Cc2cnn(CCC(=O)O)c2)C(C)C1=O
InChIInChI=1S/C14H22N4O3/c1-3-16-6-7-17(11(2)14(16)21)9-12-8-15-18(10-12)5-4-13(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyBDQSSRIOQABJHZ-UHFFFAOYSA-N
XLogP0.41
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid 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-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid
CID 122033180
3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid
CID 74248676
1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124981538
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220
3-[4-[[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methyl]pyrazol-1-yl]propanoic acid
CID 99933636
3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19491939
3-(1-butylpyrazol-4-yl)propanoic acid
CID 122240441
2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071057
1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102711011
3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 63606666
7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155825841
(4aR,7aS)-1-benzyl-4-[(1-ethylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70743884

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid (CID 74231336) is 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid is CCN1CCN(Cc2cnn(CCC(=O)O)c2)C(C)C1=O.
What is the InChIKey of 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid?
The InChIKey is BDQSSRIOQABJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-16-6-7-17(11(2)14(16)21)9-12-8-15-18(10-12)5-4-13(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid?
3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid has a molecular weight of 294.36 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 74231336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).