tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate

C14H18BrN3O2 — CID 146267804

IUPACtert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate
SMILESCCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H18BrN3O2/c1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10/h6-8H,5H2,1-4H3,(H,16,19)
InChIKeyXGBNRJSIWVIXKI-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.01
Rot. Bonds2

About tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate

tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate (PubChem CID 146267804) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate
PubChem CID146267804
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Nametert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate
SMILESCCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H18BrN3O2/c1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10/h6-8H,5H2,1-4H3,(H,16,19)
InChIKeyXGBNRJSIWVIXKI-UHFFFAOYSA-N
XLogP4.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate (CID 146267804) is tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate is CCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate?
The InChIKey is XGBNRJSIWVIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10/h6-8H,5H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate?
tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate has a molecular weight of 340.22 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate is sourced from PubChem (CID 146267804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).