(3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid

C11H15F3N4O2 — CID 68989033

IUPAC(3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN[C@H](CCn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)9-2-5-18(16-9)4-1-8-7-17(10(19)20)6-3-15-8/h2,5,8,15H,1,3-4,6-7H2,(H,19,20)/t8-/m1/s1
InChIKeyBRHWGYOLODRYNP-MRVPVSSYSA-N
MW292.26 g/mol
LogP1.24
Rot. Bonds3

About (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid

(3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid (PubChem CID 68989033) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid
PubChem CID68989033
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name(3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN[C@H](CCn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)9-2-5-18(16-9)4-1-8-7-17(10(19)20)6-3-15-8/h2,5,8,15H,1,3-4,6-7H2,(H,19,20)/t8-/m1/s1
InChIKeyBRHWGYOLODRYNP-MRVPVSSYSA-N
XLogP1.24
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid (CID 68989033) is (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid is O=C(O)N1CCN[C@H](CCn2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid?
The InChIKey is BRHWGYOLODRYNP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c12-11(13,14)9-2-5-18(16-9)4-1-8-7-17(10(19)20)6-3-15-8/h2,5,8,15H,1,3-4,6-7H2,(H,19,20)/t8-/m1/s1.
What are the key properties of (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid?
(3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid has a molecular weight of 292.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68989033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).