2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid

C14H23N3O2 — CID 64771683

IUPAC2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
SMILESCC(C)n1ccc(CN2CCCCC2CC(=O)O)n1
InChIInChI=1S/C14H23N3O2/c1-11(2)17-8-6-12(15-17)10-16-7-4-3-5-13(16)9-14(18)19/h6,8,11,13H,3-5,7,9-10H2,1-2H3,(H,18,19)
InChIKeyFCJIYXTZXYDIGO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.29
Rot. Bonds5

About 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid

2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid (PubChem CID 64771683) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
PubChem CID64771683
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
SMILESCC(C)n1ccc(CN2CCCCC2CC(=O)O)n1
InChIInChI=1S/C14H23N3O2/c1-11(2)17-8-6-12(15-17)10-16-7-4-3-5-13(16)9-14(18)19/h6,8,11,13H,3-5,7,9-10H2,1-2H3,(H,18,19)
InChIKeyFCJIYXTZXYDIGO-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid (CID 64771683) is 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid is CC(C)n1ccc(CN2CCCCC2CC(=O)O)n1.
What is the InChIKey of 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid?
The InChIKey is FCJIYXTZXYDIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)17-8-6-12(15-17)10-16-7-4-3-5-13(16)9-14(18)19/h6,8,11,13H,3-5,7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid?
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid has a molecular weight of 265.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 64771683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).