tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate

C12H21N3O2 — CID 168806631

IUPACtert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate
SMILESCN(CCc1ccnn1C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-12(2,3)17-11(16)14(4)9-7-10-6-8-13-15(10)5/h6,8H,7,9H2,1-5H3
InChIKeyJIOLVVQOLIDDGJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.83
Rot. Bonds3

About tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate

tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate (PubChem CID 168806631) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate
PubChem CID168806631
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nametert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate
SMILESCN(CCc1ccnn1C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-12(2,3)17-11(16)14(4)9-7-10-6-8-13-15(10)5/h6,8H,7,9H2,1-5H3
InChIKeyJIOLVVQOLIDDGJ-UHFFFAOYSA-N
XLogP1.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate (CID 168806631) is tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate is CN(CCc1ccnn1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate?
The InChIKey is JIOLVVQOLIDDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)17-11(16)14(4)9-7-10-6-8-13-15(10)5/h6,8H,7,9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate has a molecular weight of 239.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 168806631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).