tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate

C10H17N3O2 — CID 139329428

IUPACtert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccn[nH]1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)11-6-4-8-5-7-12-13-8/h5,7H,4,6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyAGKJIKWXTBMMBO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.48
Rot. Bonds3

About tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate

tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate (PubChem CID 139329428) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
PubChem CID139329428
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccn[nH]1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)11-6-4-8-5-7-12-13-8/h5,7H,4,6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyAGKJIKWXTBMMBO-UHFFFAOYSA-N
XLogP1.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate (CID 139329428) is tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccn[nH]1.
What is the InChIKey of tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate?
The InChIKey is AGKJIKWXTBMMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)11-6-4-8-5-7-12-13-8/h5,7H,4,6H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate?
tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 139329428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).