tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate

C11H19N3O3 — CID 123484600

IUPACtert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate
SMILESCn1[nH]c(CCNC(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)12-6-5-8-7-9(15)14(4)13-8/h7,13H,5-6H2,1-4H3,(H,12,16)
InChIKeyHJTNJWQOADPJMG-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.78
Rot. Bonds3

About tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate

tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate (PubChem CID 123484600) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate
PubChem CID123484600
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate
SMILESCn1[nH]c(CCNC(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)12-6-5-8-7-9(15)14(4)13-8/h7,13H,5-6H2,1-4H3,(H,12,16)
InChIKeyHJTNJWQOADPJMG-UHFFFAOYSA-N
XLogP0.78
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate (CID 123484600) is tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate is Cn1[nH]c(CCNC(=O)OC(C)(C)C)cc1=O.
What is the InChIKey of tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate?
The InChIKey is HJTNJWQOADPJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)12-6-5-8-7-9(15)14(4)13-8/h7,13H,5-6H2,1-4H3,(H,12,16).
What are the key properties of tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate?
tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 123484600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).