[4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate

C14H20F3N3O2 — CID 174926207

IUPAC[4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H20F3N3O2/c1-13(2,3)12(21)22-19-6-4-11(5-7-19)20-9-10(8-18-20)14(15,16)17/h8-9,11H,4-7H2,1-3H3
InChIKeyCECAKDMYRCHXIX-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.04
Rot. Bonds2

About [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174926207) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174926207
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name[4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H20F3N3O2/c1-13(2,3)12(21)22-19-6-4-11(5-7-19)20-9-10(8-18-20)14(15,16)17/h8-9,11H,4-7H2,1-3H3
InChIKeyCECAKDMYRCHXIX-UHFFFAOYSA-N
XLogP3.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
Tert-butyl 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 71226272
4-(4-Methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 131991141
1-Propan-2-yl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 138667286
[4-(1-Pyrazol-1-ylethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 140770997
[4-[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 162512098
4-(4-Methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid
CID 175876954
3,3,3-trifluoro-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 95603325
3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 95603326
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154888549
2-[4-(4-Methylpyrazol-1-yl)piperidin-1-yl]acetic acid
CID 166168328
[4-(4-Bromopyrazol-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174521520

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174926207) is [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is CECAKDMYRCHXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-13(2,3)12(21)22-19-6-4-11(5-7-19)20-9-10(8-18-20)14(15,16)17/h8-9,11H,4-7H2,1-3H3.
What are the key properties of [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 319.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174926207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).