2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate

C11H14F3N3O2 — CID 63000871

IUPAC2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)7-19-10(18)17-5-1-2-8(6-17)9-3-4-15-16-9/h3-4,8H,1-2,5-7H2,(H,15,16)
InChIKeyPVRFCCRVMIFRAV-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.29
Rot. Bonds2

About 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate

2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate (PubChem CID 63000871) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
PubChem CID63000871
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)7-19-10(18)17-5-1-2-8(6-17)9-3-4-15-16-9/h3-4,8H,1-2,5-7H2,(H,15,16)
InChIKeyPVRFCCRVMIFRAV-UHFFFAOYSA-N
XLogP2.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate (CID 63000871) is 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate is O=C(OCC(F)(F)F)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is PVRFCCRVMIFRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)7-19-10(18)17-5-1-2-8(6-17)9-3-4-15-16-9/h3-4,8H,1-2,5-7H2,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 277.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 63000871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).