tert-butyl N-(2-pyrazol-1-ylethyl)carbamate

C10H17N3O2 — CID 65143092

IUPACtert-butyl N-(2-pyrazol-1-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCn1cccn1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)11-6-8-13-7-4-5-12-13/h4-5,7H,6,8H2,1-3H3,(H,11,14)
InChIKeyAWOXFGYOJIUXPA-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.41
Rot. Bonds3

About tert-butyl N-(2-pyrazol-1-ylethyl)carbamate

tert-butyl N-(2-pyrazol-1-ylethyl)carbamate (PubChem CID 65143092) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-(2-pyrazol-1-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyrazol-1-ylethyl)carbamate
PubChem CID65143092
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl N-(2-pyrazol-1-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCn1cccn1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)11-6-8-13-7-4-5-12-13/h4-5,7H,6,8H2,1-3H3,(H,11,14)
InChIKeyAWOXFGYOJIUXPA-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-pyrazol-1-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-pyrazol-1-ylethyl)carbamate (CID 65143092) is tert-butyl N-(2-pyrazol-1-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyrazol-1-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyrazol-1-ylethyl)carbamate is CC(C)(C)OC(=O)NCCn1cccn1.
What is the InChIKey of tert-butyl N-(2-pyrazol-1-ylethyl)carbamate?
The InChIKey is AWOXFGYOJIUXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)11-6-8-13-7-4-5-12-13/h4-5,7H,6,8H2,1-3H3,(H,11,14).
What are the key properties of tert-butyl N-(2-pyrazol-1-ylethyl)carbamate?
tert-butyl N-(2-pyrazol-1-ylethyl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-pyrazol-1-ylethyl)carbamate is sourced from PubChem (CID 65143092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).