2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid

C13H19N3O3 — CID 113263080

IUPAC2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
SMILESCc1cc(C(=O)N2CCC(CC(=O)O)CC2)nn1C
InChIInChI=1S/C13H19N3O3/c1-9-7-11(14-15(9)2)13(19)16-5-3-10(4-6-16)8-12(17)18/h7,10H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyQWYCELSCONPMBB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.06
Rot. Bonds3

About 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 113263080) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID113263080
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
SMILESCc1cc(C(=O)N2CCC(CC(=O)O)CC2)nn1C
InChIInChI=1S/C13H19N3O3/c1-9-7-11(14-15(9)2)13(19)16-5-3-10(4-6-16)8-12(17)18/h7,10H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyQWYCELSCONPMBB-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid (CID 113263080) is 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid is Cc1cc(C(=O)N2CCC(CC(=O)O)CC2)nn1C.
What is the InChIKey of 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is QWYCELSCONPMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-7-11(14-15(9)2)13(19)16-5-3-10(4-6-16)8-12(17)18/h7,10H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 113263080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).