tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate

C13H21N3O2 — CID 91816981

IUPACtert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn2c1CCCC2
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)14-8-10-9-15-16-7-5-4-6-11(10)16/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyZFAOUVZVCHFQOK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate

tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate (PubChem CID 91816981) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
PubChem CID91816981
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn2c1CCCC2
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)14-8-10-9-15-16-7-5-4-6-11(10)16/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyZFAOUVZVCHFQOK-UHFFFAOYSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate (CID 91816981) is tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1cnn2c1CCCC2.
What is the InChIKey of tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate?
The InChIKey is ZFAOUVZVCHFQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)14-8-10-9-15-16-7-5-4-6-11(10)16/h9H,4-8H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate?
tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 91816981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).