2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid

C14H22N4O3 — CID 102810159

IUPAC2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCc1nn(C)cc1C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-4-12-11(9-16(3)15-12)13(19)18-7-5-17(6-8-18)10(2)14(20)21/h9-10H,4-8H2,1-3H3,(H,20,21)
InChIKeyHFZCEBQYTPYZIK-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.21
Rot. Bonds4

About 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 102810159) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID102810159
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCc1nn(C)cc1C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-4-12-11(9-16(3)15-12)13(19)18-7-5-17(6-8-18)10(2)14(20)21/h9-10H,4-8H2,1-3H3,(H,20,21)
InChIKeyHFZCEBQYTPYZIK-UHFFFAOYSA-N
XLogP0.21
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-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

[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809897
(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 103894061
1-(3-ethyl-1-methylpyrazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982482
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102811050
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920830
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102801072
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103894434
(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 103894192
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
(3-ethyl-1-methylpyrazol-4-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 102810985
(3-ethyl-1,2-oxazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 129067956
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid (CID 102810159) is 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid is CCc1nn(C)cc1C(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is HFZCEBQYTPYZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-12-11(9-16(3)15-12)13(19)18-7-5-17(6-8-18)10(2)14(20)21/h9-10H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 294.36 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 102810159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).