tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate

C16H24F3N3O2 — CID 168945345

IUPACtert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate
SMILESCCc1cnn(C2CCN(C(=O)OC(C)(C)C)C(C(F)(F)F)C2)c1
InChIInChI=1S/C16H24F3N3O2/c1-5-11-9-20-22(10-11)12-6-7-21(13(8-12)16(17,18)19)14(23)24-15(2,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyQQTKAVSEYXLYAB-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 168945345) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID168945345
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Nametert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate
SMILESCCc1cnn(C2CCN(C(=O)OC(C)(C)C)C(C(F)(F)F)C2)c1
InChIInChI=1S/C16H24F3N3O2/c1-5-11-9-20-22(10-11)12-6-7-21(13(8-12)16(17,18)19)14(23)24-15(2,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyQQTKAVSEYXLYAB-UHFFFAOYSA-N
XLogP3.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-Dimethylethyl 4-(4-ethynyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate
CID 122241582
tert-Butyl 4-[(4-Ethynyl-1H-pyrazol-1-yl)methyl]piperidine-1-carboxylate
CID 139210994
tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 45480389
tert-butyl 3-(1-methyl-1H-pyrazol-4-yl)piperazine-1-carboxylate
CID 75422429
tert-butyl (2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 99606833
Tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate
CID 126818100
Tert-butyl 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 71226272
tert-Butyl 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]piperidine-1-carboxylate
CID 71226536
tert-Butyl 3-fluoro-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 89713467
Tert-butyl 3-fluoro-5-(4-iodopyrazol-1-yl)piperidine-1-carboxylate
CID 89816220
Tert-butyl 3-fluoro-4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate
CID 123704592
4-[4-(1,1-Difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine
CID 129227656

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate (CID 168945345) is tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate is CCc1cnn(C2CCN(C(=O)OC(C)(C)C)C(C(F)(F)F)C2)c1.
What is the InChIKey of tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is QQTKAVSEYXLYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-5-11-9-20-22(10-11)12-6-7-21(13(8-12)16(17,18)19)14(23)24-15(2,3)4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate?
tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 347.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-ethylpyrazol-1-yl)-2-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 168945345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).