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

C14H14F3N5O2 — CID 122050971

IUPAC5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)cn1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-3-5-22(20-11)9-2-1-4-21(8-9)12-7-18-10(6-19-12)13(23)24/h3,5-7,9H,1-2,4,8H2,(H,23,24)
InChIKeyRUAXUCQYONJAED-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.23
Rot. Bonds3

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

5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122050971) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122050971
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)cn1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-3-5-22(20-11)9-2-1-4-21(8-9)12-7-18-10(6-19-12)13(23)24/h3,5-7,9H,1-2,4,8H2,(H,23,24)
InChIKeyRUAXUCQYONJAED-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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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122050971) is 5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)cn1.
What is the InChIKey of 5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is RUAXUCQYONJAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)11-3-5-22(20-11)9-2-1-4-21(8-9)12-7-18-10(6-19-12)13(23)24/h3,5-7,9H,1-2,4,8H2,(H,23,24).
What are the key properties of 5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[3-[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-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122050971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).