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

C15H22F3N3O2 — CID 134331624

IUPACmethyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1C
InChIInChI=1S/C15H22F3N3O2/c1-9(2)12-8-13(15(16,17)18)19-21(12)11-5-6-20(10(3)7-11)14(22)23-4/h8-11H,5-7H2,1-4H3
InChIKeyAWHIIEBCNIFPCY-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.82
Rot. Bonds2

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

methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 134331624) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID134331624
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Namemethyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1C
InChIInChI=1S/C15H22F3N3O2/c1-9(2)12-8-13(15(16,17)18)19-21(12)11-5-6-20(10(3)7-11)14(22)23-4/h8-11H,5-7H2,1-4H3
InChIKeyAWHIIEBCNIFPCY-UHFFFAOYSA-N
XLogP3.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate (CID 134331624) is methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate is COC(=O)N1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1C.
What is the InChIKey of methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is AWHIIEBCNIFPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-9(2)12-8-13(15(16,17)18)19-21(12)11-5-6-20(10(3)7-11)14(22)23-4/h8-11H,5-7H2,1-4H3.
What are the key properties of methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate?
methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 134331624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).