tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate

C15H18F3N3O3 — CID 171437031

IUPACtert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate
SMILESCOc1c(NC(=O)OC(C)(C)C)ccc2cnn(CC(F)(F)F)c12
InChIInChI=1S/C15H18F3N3O3/c1-14(2,3)24-13(22)20-10-6-5-9-7-19-21(8-15(16,17)18)11(9)12(10)23-4/h5-7H,8H2,1-4H3,(H,20,22)
InChIKeyQHSIYOHFZXFJLV-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.95
Rot. Bonds3

About tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate

tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate (PubChem CID 171437031) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate
PubChem CID171437031
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Nametert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate
SMILESCOc1c(NC(=O)OC(C)(C)C)ccc2cnn(CC(F)(F)F)c12
InChIInChI=1S/C15H18F3N3O3/c1-14(2,3)24-13(22)20-10-6-5-9-7-19-21(8-15(16,17)18)11(9)12(10)23-4/h5-7H,8H2,1-4H3,(H,20,22)
InChIKeyQHSIYOHFZXFJLV-UHFFFAOYSA-N
XLogP3.95
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate
CID 171437057
tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate
CID 171597592
(7-methoxy-1-methylindazol-6-yl)carbamic acid
CID 174225914
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
CID 86775149
tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
CID 162753187
tert-butyl N-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 169213488
tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
CID 167266134
tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
CID 156715354
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130453693

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate?
The IUPAC name of tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate (CID 171437031) is tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate is COc1c(NC(=O)OC(C)(C)C)ccc2cnn(CC(F)(F)F)c12.
What is the InChIKey of tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate?
The InChIKey is QHSIYOHFZXFJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-14(2,3)24-13(22)20-10-6-5-9-7-19-21(8-15(16,17)18)11(9)12(10)23-4/h5-7H,8H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate?
tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate has a molecular weight of 345.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate is sourced from PubChem (CID 171437031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).