1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid

C14H13F3N4O2 — CID 162444309

IUPAC1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cnc(N3CCC(F)(F)CC3)c(F)c2)c1
InChIInChI=1S/C14H13F3N4O2/c15-11-5-10(21-8-9(6-19-21)13(22)23)7-18-12(11)20-3-1-14(16,17)2-4-20/h5-8H,1-4H2,(H,22,23)
InChIKeyCSXYNALCPPBKBV-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.34
Rot. Bonds3

About 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid

1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 162444309) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID162444309
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cnc(N3CCC(F)(F)CC3)c(F)c2)c1
InChIInChI=1S/C14H13F3N4O2/c15-11-5-10(21-8-9(6-19-21)13(22)23)7-18-12(11)20-3-1-14(16,17)2-4-20/h5-8H,1-4H2,(H,22,23)
InChIKeyCSXYNALCPPBKBV-UHFFFAOYSA-N
XLogP2.34
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid (CID 162444309) is 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cnc(N3CCC(F)(F)CC3)c(F)c2)c1.
What is the InChIKey of 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is CSXYNALCPPBKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-11-5-10(21-8-9(6-19-21)13(22)23)7-18-12(11)20-3-1-14(16,17)2-4-20/h5-8H,1-4H2,(H,22,23).
What are the key properties of 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid?
1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid has a molecular weight of 326.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 162444309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).