2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C11H15F3N4O — CID 62101229

IUPAC2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNc1ccn(CC(=O)N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-2-1-4-17(6-8)10(19)7-18-5-3-9(15)16-18/h3,5,8H,1-2,4,6-7H2,(H2,15,16)
InChIKeyOVKGQRCJYGQNJX-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.27
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 62101229) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID62101229
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNc1ccn(CC(=O)N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-2-1-4-17(6-8)10(19)7-18-5-3-9(15)16-18/h3,5,8H,1-2,4,6-7H2,(H2,15,16)
InChIKeyOVKGQRCJYGQNJX-UHFFFAOYSA-N
XLogP1.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 62101229) is 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is Nc1ccn(CC(=O)N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is OVKGQRCJYGQNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-2-1-4-17(6-8)10(19)7-18-5-3-9(15)16-18/h3,5,8H,1-2,4,6-7H2,(H2,15,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 276.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62101229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).