3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid

C17H24N6O3 — CID 19491939

IUPAC3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(CN2CCN(C(=O)c3ccnn3CCC(=O)O)CC2)cn1
InChIInChI=1S/C17H24N6O3/c1-2-22-13-14(11-19-22)12-20-7-9-21(10-8-20)17(26)15-3-5-18-23(15)6-4-16(24)25/h3,5,11,13H,2,4,6-10,12H2,1H3,(H,24,25)
InChIKeyAJFXGCXOEFQGPC-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.53
Rot. Bonds7

About 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid

3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491939) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
PubChem CID19491939
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(CN2CCN(C(=O)c3ccnn3CCC(=O)O)CC2)cn1
InChIInChI=1S/C17H24N6O3/c1-2-22-13-14(11-19-22)12-20-7-9-21(10-8-20)17(26)15-3-5-18-23(15)6-4-16(24)25/h3,5,11,13H,2,4,6-10,12H2,1H3,(H,24,25)
InChIKeyAJFXGCXOEFQGPC-UHFFFAOYSA-N
XLogP0.53
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]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

2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482322
(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185138
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 95752074
[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 46957495
2-[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19482542
[4-[(1-ethylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone;formic acid
CID 154911723
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6471079
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097
6-cyclopropyl-4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 127901437

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid (CID 19491939) is 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid is CCn1cc(CN2CCN(C(=O)c3ccnn3CCC(=O)O)CC2)cn1.
What is the InChIKey of 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid?
The InChIKey is AJFXGCXOEFQGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-2-22-13-14(11-19-22)12-20-7-9-21(10-8-20)17(26)15-3-5-18-23(15)6-4-16(24)25/h3,5,11,13H,2,4,6-10,12H2,1H3,(H,24,25).
What are the key properties of 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid?
3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid has a molecular weight of 360.42 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).