methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate

C14H20F3N3O2 — CID 134331585

IUPACmethyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
SMILESCOC(=O)C1CC(n2nc(C(F)(F)F)cc2C(C)C)CCN1
InChIInChI=1S/C14H20F3N3O2/c1-8(2)11-7-12(14(15,16)17)19-20(11)9-4-5-18-10(6-9)13(21)22-3/h7-10,18H,4-6H2,1-3H3
InChIKeyYOFWWZNDTBAIMZ-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.49
Rot. Bonds3

About methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate

methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate (PubChem CID 134331585) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
PubChem CID134331585
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Namemethyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
SMILESCOC(=O)C1CC(n2nc(C(F)(F)F)cc2C(C)C)CCN1
InChIInChI=1S/C14H20F3N3O2/c1-8(2)11-7-12(14(15,16)17)19-20(11)9-4-5-18-10(6-9)13(21)22-3/h7-10,18H,4-6H2,1-3H3
InChIKeyYOFWWZNDTBAIMZ-UHFFFAOYSA-N
XLogP2.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 71186884
Tert-butyl 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxylate
CID 91095041
Methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
CID 122633516
Methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate
CID 122633583
Methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate
CID 134331622
Methyl 4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
CID 134331655
Methyl 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate
CID 134331656
ethyl (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoate
CID 168907655
Ethyl 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoate
CID 168907715
ethyl (2S)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoate
CID 168907764
methyl (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 7017160
methyl (2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 7026170

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate?
The IUPAC name of methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate (CID 134331585) is methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate?
The canonical SMILES for methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate is COC(=O)C1CC(n2nc(C(F)(F)F)cc2C(C)C)CCN1.
What is the InChIKey of methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate?
The InChIKey is YOFWWZNDTBAIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-8(2)11-7-12(14(15,16)17)19-20(11)9-4-5-18-10(6-9)13(21)22-3/h7-10,18H,4-6H2,1-3H3.
What are the key properties of methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate?
methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate has a molecular weight of 319.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate is sourced from PubChem (CID 134331585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).