tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate

C11H20N4O2 — CID 84728083

IUPACtert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCn1cc(N)cn1
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)13-5-4-6-15-8-9(12)7-14-15/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyXITIZOQUUVELJS-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.38
Rot. Bonds4

About tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate

tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate (PubChem CID 84728083) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate
PubChem CID84728083
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nametert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCn1cc(N)cn1
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)13-5-4-6-15-8-9(12)7-14-15/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyXITIZOQUUVELJS-UHFFFAOYSA-N
XLogP1.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate 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-[3-(4-aminopyrazol-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate (CID 84728083) is tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCn1cc(N)cn1.
What is the InChIKey of tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate?
The InChIKey is XITIZOQUUVELJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)13-5-4-6-15-8-9(12)7-14-15/h7-8H,4-6,12H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate?
tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate has a molecular weight of 240.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate is sourced from PubChem (CID 84728083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).