tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate

C11H19N3O2 — CID 163355422

IUPACtert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
SMILESCCn1ccc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-5-14-7-6-9(13-14)8-12-10(15)16-11(2,3)4/h6-7H,5,8H2,1-4H3,(H,12,15)
InChIKeyMWXPGGCLKWCMSX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.93
Rot. Bonds3

About tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate

tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate (PubChem CID 163355422) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
PubChem CID163355422
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
SMILESCCn1ccc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-5-14-7-6-9(13-14)8-12-10(15)16-11(2,3)4/h6-7H,5,8H2,1-4H3,(H,12,15)
InChIKeyMWXPGGCLKWCMSX-UHFFFAOYSA-N
XLogP1.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
N-[(1-ethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19330999
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate
CID 177333870
(E)-3-(2-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]prop-2-enamide
CID 19331002
tert-butyl N-[(7-phenylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175306900
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[2-(1-formylpyrazol-3-yl)ethyl]carbamate
CID 91450229
N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508279
tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
CID 143835042

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate (CID 163355422) is tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate is CCn1ccc(CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate?
The InChIKey is MWXPGGCLKWCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-14-7-6-9(13-14)8-12-10(15)16-11(2,3)4/h6-7H,5,8H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate?
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate has a molecular weight of 225.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate is sourced from PubChem (CID 163355422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).