1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid

C13H14FN5O2 — CID 172581508

IUPAC1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc(F)c(-n3cccn3)n2)CC1
InChIInChI=1S/C13H14FN5O2/c14-10-8-15-13(17-11(10)19-5-1-4-16-19)18-6-2-9(3-7-18)12(20)21/h1,4-5,8-9H,2-3,6-7H2,(H,20,21)
InChIKeyCJUQILLYOSJQHU-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.10
Rot. Bonds3

About 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid

1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 172581508) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID172581508
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc(F)c(-n3cccn3)n2)CC1
InChIInChI=1S/C13H14FN5O2/c14-10-8-15-13(17-11(10)19-5-1-4-16-19)18-6-2-9(3-7-18)12(20)21/h1,4-5,8-9H,2-3,6-7H2,(H,20,21)
InChIKeyCJUQILLYOSJQHU-UHFFFAOYSA-N
XLogP1.10
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 172581508) is 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ncc(F)c(-n3cccn3)n2)CC1.
What is the InChIKey of 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is CJUQILLYOSJQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O2/c14-10-8-15-13(17-11(10)19-5-1-4-16-19)18-6-2-9(3-7-18)12(20)21/h1,4-5,8-9H,2-3,6-7H2,(H,20,21).
What are the key properties of 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 291.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 172581508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).