tert-butyl N-(1H-indazol-5-yl)carbamate

C12H15N3O2 — CID 15606020

IUPACtert-butyl N-(1H-indazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)14-9-4-5-10-8(6-9)7-13-15-10/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyJOQUOZJHOLTJMC-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.91
Rot. Bonds1

About tert-butyl N-(1H-indazol-5-yl)carbamate

tert-butyl N-(1H-indazol-5-yl)carbamate (PubChem CID 15606020) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is tert-butyl N-(1H-indazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-indazol-5-yl)carbamate
PubChem CID15606020
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nametert-butyl N-(1H-indazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)14-9-4-5-10-8(6-9)7-13-15-10/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyJOQUOZJHOLTJMC-UHFFFAOYSA-N
XLogP2.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-indazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(1H-indazol-5-yl)carbamate (CID 15606020) is tert-butyl N-(1H-indazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-indazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(1H-indazol-5-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of tert-butyl N-(1H-indazol-5-yl)carbamate?
The InChIKey is JOQUOZJHOLTJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)14-9-4-5-10-8(6-9)7-13-15-10/h4-7H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-(1H-indazol-5-yl)carbamate?
tert-butyl N-(1H-indazol-5-yl)carbamate has a molecular weight of 233.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1H-indazol-5-yl)carbamate is sourced from PubChem (CID 15606020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).