3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid

C14H24N4O2 — CID 65055715

IUPAC3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid
SMILESCCn1cc(C(C)N2CCN(CCC(=O)O)CC2)cn1
InChIInChI=1S/C14H24N4O2/c1-3-18-11-13(10-15-18)12(2)17-8-6-16(7-9-17)5-4-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyUOIQEYOHWDGRGV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.06
Rot. Bonds6

About 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid

3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid (PubChem CID 65055715) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid
PubChem CID65055715
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid
SMILESCCn1cc(C(C)N2CCN(CCC(=O)O)CC2)cn1
InChIInChI=1S/C14H24N4O2/c1-3-18-11-13(10-15-18)12(2)17-8-6-16(7-9-17)5-4-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyUOIQEYOHWDGRGV-UHFFFAOYSA-N
XLogP1.06
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid (CID 65055715) is 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid is CCn1cc(C(C)N2CCN(CCC(=O)O)CC2)cn1.
What is the InChIKey of 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid?
The InChIKey is UOIQEYOHWDGRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-18-11-13(10-15-18)12(2)17-8-6-16(7-9-17)5-4-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid?
3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid has a molecular weight of 280.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65055715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).