tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate

C11H19N3O3 — CID 131183667

IUPACtert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate
SMILESCn1cc(N(CCO)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)14(5-6-15)9-7-12-13(4)8-9/h7-8,15H,5-6H2,1-4H3
InChIKeyOVONMMVNMIUEQC-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.15
Rot. Bonds3

About tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate

tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate (PubChem CID 131183667) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate
PubChem CID131183667
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate
SMILESCn1cc(N(CCO)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)14(5-6-15)9-7-12-13(4)8-9/h7-8,15H,5-6H2,1-4H3
InChIKeyOVONMMVNMIUEQC-UHFFFAOYSA-N
XLogP1.15
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate (CID 131183667) is tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate is Cn1cc(N(CCO)C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate?
The InChIKey is OVONMMVNMIUEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)14(5-6-15)9-7-12-13(4)8-9/h7-8,15H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate?
tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate has a molecular weight of 241.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)carbamate is sourced from PubChem (CID 131183667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).