tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate

C19H24F3N3O2 — CID 58817519

IUPACtert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate
SMILESCn1nc(C2CCN(C(=O)OC(C)(C)C)CC2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C19H24F3N3O2/c1-18(2,3)27-17(26)25-10-8-12(9-11-25)15-13-6-5-7-14(19(20,21)22)16(13)24(4)23-15/h5-7,12H,8-11H2,1-4H3
InChIKeyNKATXOMJUSJHSY-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.71
Rot. Bonds1

About tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate (PubChem CID 58817519) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate
PubChem CID58817519
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Nametert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate
SMILESCn1nc(C2CCN(C(=O)OC(C)(C)C)CC2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C19H24F3N3O2/c1-18(2,3)27-17(26)25-10-8-12(9-11-25)15-13-6-5-7-14(19(20,21)22)16(13)24(4)23-15/h5-7,12H,8-11H2,1-4H3
InChIKeyNKATXOMJUSJHSY-UHFFFAOYSA-N
XLogP4.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate (CID 58817519) is tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate is Cn1nc(C2CCN(C(=O)OC(C)(C)C)CC2)c2cccc(C(F)(F)F)c21.
What is the InChIKey of tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate?
The InChIKey is NKATXOMJUSJHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-18(2,3)27-17(26)25-10-8-12(9-11-25)15-13-6-5-7-14(19(20,21)22)16(13)24(4)23-15/h5-7,12H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate has a molecular weight of 383.41 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58817519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).