5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C13H19F3N4O2 — CID 71927132

IUPAC5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(CCOCC(F)(F)F)C2)[nH]n1
InChIInChI=1S/C13H19F3N4O2/c14-13(15,16)8-22-5-4-20-3-1-2-9(7-20)10-6-11(12(17)21)19-18-10/h6,9H,1-5,7-8H2,(H2,17,21)(H,18,19)
InChIKeyNUZIZCRCJKHIGV-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.27
Rot. Bonds6

About 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71927132) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71927132
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC Name5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(CCOCC(F)(F)F)C2)[nH]n1
InChIInChI=1S/C13H19F3N4O2/c14-13(15,16)8-22-5-4-20-3-1-2-9(7-20)10-6-11(12(17)21)19-18-10/h6,9H,1-5,7-8H2,(H2,17,21)(H,18,19)
InChIKeyNUZIZCRCJKHIGV-UHFFFAOYSA-N
XLogP1.27
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71927132) is 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc(C2CCCN(CCOCC(F)(F)F)C2)[nH]n1.
What is the InChIKey of 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is NUZIZCRCJKHIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c14-13(15,16)8-22-5-4-20-3-1-2-9(7-20)10-6-11(12(17)21)19-18-10/h6,9H,1-5,7-8H2,(H2,17,21)(H,18,19).
What are the key properties of 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71927132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).