tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate

C10H18N4O2 — CID 70984316

IUPACtert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(N)cn1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-4-5-14-7-8(11)6-13-14/h6-7H,4-5,11H2,1-3H3,(H,12,15)
InChIKeyAZNYWSBHIXKFKY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.99
Rot. Bonds3

About tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate

tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate (PubChem CID 70984316) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate
PubChem CID70984316
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nametert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(N)cn1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-4-5-14-7-8(11)6-13-14/h6-7H,4-5,11H2,1-3H3,(H,12,15)
InChIKeyAZNYWSBHIXKFKY-UHFFFAOYSA-N
XLogP0.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate (CID 70984316) is tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1cc(N)cn1.
What is the InChIKey of tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate?
The InChIKey is AZNYWSBHIXKFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-4-5-14-7-8(11)6-13-14/h6-7H,4-5,11H2,1-3H3,(H,12,15).
What are the key properties of tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 70984316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).