2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid

C17H20N4O3 — CID 19482322

IUPAC2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N4O3/c22-16(23)13-21-15(6-7-18-21)17(24)20-10-8-19(9-11-20)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,22,23)
InChIKeyYBWKTFDVXBYVKT-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.93
Rot. Bonds5

About 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid

2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid (PubChem CID 19482322) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
PubChem CID19482322
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N4O3/c22-16(23)13-21-15(6-7-18-21)17(24)20-10-8-19(9-11-20)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,22,23)
InChIKeyYBWKTFDVXBYVKT-UHFFFAOYSA-N
XLogP0.93
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic 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

2-[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19482542
2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482326
2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485579
[2-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19479146
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19491939
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
[2-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19479147
3-[[4-[2-(2,2-difluoroethyl)pyrazole-3-carbonyl]piperazin-1-yl]methyl]benzamide
CID 146095396
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
2-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazole-3-carboxylic acid
CID 19485605
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6471079

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid (CID 19482322) is 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid?
The InChIKey is YBWKTFDVXBYVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(23)13-21-15(6-7-18-21)17(24)20-10-8-19(9-11-20)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,22,23).
What are the key properties of 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid?
2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid has a molecular weight of 328.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).