tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate

C11H19N3O2 — CID 130470626

IUPACtert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ccn(C)n1
InChIInChI=1S/C11H19N3O2/c1-8(9-6-7-14(5)13-9)12-10(15)16-11(2,3)4/h6-8H,1-5H3,(H,12,15)
InChIKeyJPRBXTCMSODKHE-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.01
Rot. Bonds2

About tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate

tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate (PubChem CID 130470626) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
PubChem CID130470626
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ccn(C)n1
InChIInChI=1S/C11H19N3O2/c1-8(9-6-7-14(5)13-9)12-10(15)16-11(2,3)4/h6-8H,1-5H3,(H,12,15)
InChIKeyJPRBXTCMSODKHE-UHFFFAOYSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
CID 114986188
tert-butyl N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]carbamate
CID 177202082
tert-butyl 6-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-1-carboxylate
CID 164556166
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(1-methylpyrazol-3-yl)amino]-4-oxobutanoate
CID 118061279
3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylpyrazole-5-carboxylic acid
CID 135017164
tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate
CID 130913963
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[1-(1-methyl-1,2,4-triazol-3-yl)-1-oxopropan-2-yl]carbamate
CID 165463980
tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate
CID 134470223
tert-butyl N-[1-(1,8-naphthyridin-2-yl)ethyl]carbamate
CID 57185264
tert-butyl N-[1-[3-(3-methylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114702803
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate (CID 130470626) is tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1ccn(C)n1.
What is the InChIKey of tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate?
The InChIKey is JPRBXTCMSODKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(9-6-7-14(5)13-9)12-10(15)16-11(2,3)4/h6-8H,1-5H3,(H,12,15).
What are the key properties of tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate?
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate has a molecular weight of 225.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 130470626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).