tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate

C15H23F3N4O2 — CID 150374842

IUPACtert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate
SMILESCn1cc(NC2CCN(C(=O)OC(C)(C)C)C(C(F)(F)F)C2)cn1
InChIInChI=1S/C15H23F3N4O2/c1-14(2,3)24-13(23)22-6-5-10(7-12(22)15(16,17)18)20-11-8-19-21(4)9-11/h8-10,12,20H,5-7H2,1-4H3
InChIKeyGYLWJYDTAXOTAO-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 150374842) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID150374842
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Nametert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate
SMILESCn1cc(NC2CCN(C(=O)OC(C)(C)C)C(C(F)(F)F)C2)cn1
InChIInChI=1S/C15H23F3N4O2/c1-14(2,3)24-13(23)22-6-5-10(7-12(22)15(16,17)18)20-11-8-19-21(4)9-11/h8-10,12,20H,5-7H2,1-4H3
InChIKeyGYLWJYDTAXOTAO-UHFFFAOYSA-N
XLogP3.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate (CID 150374842) is tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate is Cn1cc(NC2CCN(C(=O)OC(C)(C)C)C(C(F)(F)F)C2)cn1.
What is the InChIKey of tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is GYLWJYDTAXOTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-14(2,3)24-13(23)22-6-5-10(7-12(22)15(16,17)18)20-11-8-19-21(4)9-11/h8-10,12,20H,5-7H2,1-4H3.
What are the key properties of tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate?
tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 348.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 150374842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).