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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Related Compounds

CID 73507351
CID 73507351
Methyl 2-[3-[3-(trifluoromethyl)phenyl]indazol-1-yl]acetate
CID 73506914
1-[1-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532979
1-[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532980
1-[3-(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533025
1-[1-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533187
1-[1-(2,4-Difluoro-benzyl)-3-(4-fluoro-phenyl)-6-methyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 71533616
Tert-butyl 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperazine-1-carboxylate
CID 155520602
1-[1-[(2,4-difluorophenyl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533126
3,3,3-Trifluoroprop-1-en-2-yl 2,2-dimethyl-3-(3-phenyl-1h-indazol-1-yl)propanoate
CID 175684532
2-[3-Phenyl-7-(trifluoromethyl)-1-indazolyl]acetic acid methyl ester
CID 49835842
2-Benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole
CID 11588007

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).