3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid

C14H20N4O2 — CID 63757311

IUPAC3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid
SMILESCc1nn(C)c(N2CCCC(CCC(=O)O)C2)c1C#N
InChIInChI=1S/C14H20N4O2/c1-10-12(8-15)14(17(2)16-10)18-7-3-4-11(9-18)5-6-13(19)20/h11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyLIYBHFPPOGKJJJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.68
Rot. Bonds4

About 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid

3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid (PubChem CID 63757311) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid
PubChem CID63757311
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid
SMILESCc1nn(C)c(N2CCCC(CCC(=O)O)C2)c1C#N
InChIInChI=1S/C14H20N4O2/c1-10-12(8-15)14(17(2)16-10)18-7-3-4-11(9-18)5-6-13(19)20/h11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyLIYBHFPPOGKJJJ-UHFFFAOYSA-N
XLogP1.68
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid (CID 63757311) is 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid is Cc1nn(C)c(N2CCCC(CCC(=O)O)C2)c1C#N.
What is the InChIKey of 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid?
The InChIKey is LIYBHFPPOGKJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-12(8-15)14(17(2)16-10)18-7-3-4-11(9-18)5-6-13(19)20/h11H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid?
3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 63757311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).