tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate

C11H19N3O3 — CID 65142918

IUPACtert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate
SMILESCOCCn1cc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H19N3O3/c1-11(2,3)17-10(15)13-9-7-12-14(8-9)5-6-16-4/h7-8H,5-6H2,1-4H3,(H,13,15)
InChIKeyPGGXPKHGPIJTOK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.88
Rot. Bonds4

About tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate

tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate (PubChem CID 65142918) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate
PubChem CID65142918
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate
SMILESCOCCn1cc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H19N3O3/c1-11(2,3)17-10(15)13-9-7-12-14(8-9)5-6-16-4/h7-8H,5-6H2,1-4H3,(H,13,15)
InChIKeyPGGXPKHGPIJTOK-UHFFFAOYSA-N
XLogP1.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate (CID 65142918) is tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate is COCCn1cc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate?
The InChIKey is PGGXPKHGPIJTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)17-10(15)13-9-7-12-14(8-9)5-6-16-4/h7-8H,5-6H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate?
tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 65142918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).