2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid

C13H20N4O3 — CID 62317777

IUPAC2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)C(C)n2cccn2)CC1
InChIInChI=1S/C13H20N4O3/c1-10(17-5-3-4-14-17)12(18)16-8-6-15(7-9-16)11(2)13(19)20/h3-5,10-11H,6-9H2,1-2H3,(H,19,20)
InChIKeyXRUYMZKOOVEJOW-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.06
Rot. Bonds4

About 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid

2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid (PubChem CID 62317777) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
PubChem CID62317777
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)C(C)n2cccn2)CC1
InChIInChI=1S/C13H20N4O3/c1-10(17-5-3-4-14-17)12(18)16-8-6-15(7-9-16)11(2)13(19)20/h3-5,10-11H,6-9H2,1-2H3,(H,19,20)
InChIKeyXRUYMZKOOVEJOW-UHFFFAOYSA-N
XLogP0.06
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]acetonitrile
CID 113246506
1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
CID 129493584
2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121165072
(2R)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 124506573
(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94004421
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 70726909
2-[4-(2,2-difluoroacetyl)piperazin-1-yl]propanoic acid
CID 103513248
1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122336193
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 134048474
1-(2-pyrazol-1-ylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708349

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid (CID 62317777) is 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)C(C)n2cccn2)CC1.
What is the InChIKey of 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid?
The InChIKey is XRUYMZKOOVEJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10(17-5-3-4-14-17)12(18)16-8-6-15(7-9-16)11(2)13(19)20/h3-5,10-11H,6-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid?
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid has a molecular weight of 280.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).