tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate

C12H21N3O2 — CID 90396336

IUPACtert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate
SMILESCCc1cnn(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H21N3O2/c1-5-10-8-14-15(9-10)7-6-13-11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyFOOJOBJGNHMHOO-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate

tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate (PubChem CID 90396336) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate
PubChem CID90396336
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nametert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate
SMILESCCc1cnn(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H21N3O2/c1-5-10-8-14-15(9-10)7-6-13-11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyFOOJOBJGNHMHOO-UHFFFAOYSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.97
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-(4-ethylpyrazol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate (CID 90396336) is tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate is CCc1cnn(CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate?
The InChIKey is FOOJOBJGNHMHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-10-8-14-15(9-10)7-6-13-11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate has a molecular weight of 239.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-ethylpyrazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 90396336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).