5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid

C14H14F3N5O2 — CID 122054778

IUPAC5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)cn1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-3-6-22(20-11)9-1-4-21(5-2-9)12-8-18-10(7-19-12)13(23)24/h3,6-9H,1-2,4-5H2,(H,23,24)
InChIKeyOENKHELXFQLLOR-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.23
Rot. Bonds3

About 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid

5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122054778) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122054778
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)cn1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-3-6-22(20-11)9-1-4-21(5-2-9)12-8-18-10(7-19-12)13(23)24/h3,6-9H,1-2,4-5H2,(H,23,24)
InChIKeyOENKHELXFQLLOR-UHFFFAOYSA-N
XLogP2.23
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 166401696
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 120705849
imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166277837
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 122053440
[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 139021938
2-(1-phenylpyrazol-4-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166203581
(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 126815509
5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057831
2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 86783988
5-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053080
5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053457

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122054778) is 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)cn1.
What is the InChIKey of 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is OENKHELXFQLLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)11-3-6-22(20-11)9-1-4-21(5-2-9)12-8-18-10(7-19-12)13(23)24/h3,6-9H,1-2,4-5H2,(H,23,24).
What are the key properties of 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 341.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).