tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate

C14H19N3O3 — CID 171597790

IUPACtert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate
SMILESCOc1ccc2c(cnn2C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O3/c1-14(2,3)20-13(18)16-12-9-8-15-17(4)10(9)6-7-11(12)19-5/h6-8H,1-5H3,(H,16,18)
InChIKeySIFWSYPTIJJTLN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.93
Rot. Bonds2

About tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate

tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate (PubChem CID 171597790) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate
PubChem CID171597790
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nametert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate
SMILESCOc1ccc2c(cnn2C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O3/c1-14(2,3)20-13(18)16-12-9-8-15-17(4)10(9)6-7-11(12)19-5/h6-8H,1-5H3,(H,16,18)
InChIKeySIFWSYPTIJJTLN-UHFFFAOYSA-N
XLogP2.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate (CID 171597790) is tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate is COc1ccc2c(cnn2C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate?
The InChIKey is SIFWSYPTIJJTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2,3)20-13(18)16-12-9-8-15-17(4)10(9)6-7-11(12)19-5/h6-8H,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate?
tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate has a molecular weight of 277.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate is sourced from PubChem (CID 171597790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).