tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate

C11H20N4O2 — CID 58044070

IUPACtert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate
SMILESCN(CCn1ccc(N)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14(4)7-8-15-6-5-9(12)13-15/h5-6H,7-8H2,1-4H3,(H2,12,13)
InChIKeyUSZDXRDBAVEALA-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.33
Rot. Bonds3

About tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate

tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate (PubChem CID 58044070) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate
PubChem CID58044070
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nametert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate
SMILESCN(CCn1ccc(N)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14(4)7-8-15-6-5-9(12)13-15/h5-6H,7-8H2,1-4H3,(H2,12,13)
InChIKeyUSZDXRDBAVEALA-UHFFFAOYSA-N
XLogP1.33
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate (CID 58044070) is tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate is CN(CCn1ccc(N)n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate?
The InChIKey is USZDXRDBAVEALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14(4)7-8-15-6-5-9(12)13-15/h5-6H,7-8H2,1-4H3,(H2,12,13).
What are the key properties of tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate has a molecular weight of 240.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-aminopyrazol-1-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 58044070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).