tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate

C11H19N3O2 — CID 122492608

IUPACtert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
SMILESCN(CCc1ccn[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)14(4)8-6-9-5-7-12-13-9/h5,7H,6,8H2,1-4H3,(H,12,13)
InChIKeyCWXMLUQRUVSNEQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.82
Rot. Bonds3

About tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate

tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate (PubChem CID 122492608) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
PubChem CID122492608
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
SMILESCN(CCc1ccn[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)14(4)8-6-9-5-7-12-13-9/h5,7H,6,8H2,1-4H3,(H,12,13)
InChIKeyCWXMLUQRUVSNEQ-UHFFFAOYSA-N
XLogP1.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475
tert-butyl N-[[2-amino-3-(1H-pyrazol-5-yl)phenyl]methyl]-N-methylcarbamate
CID 123235376
2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrimidine-5-carboxylic acid
CID 165463164
tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate
CID 107246587
tert-butyl N-[2-[4-(chloromethyl)phenoxy]ethyl]-N-methylcarbamate
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tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate
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tert-butyl N-[4-(4-methoxyphenyl)-4-oxobutyl]-N-methylcarbamate
CID 138972967
tert-butyl N-[2-(4-isocyanatophenyl)ethyl]-N-methylcarbamate
CID 58108870
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-[2-[1-(1-hydroxyethyl)-3-iodopyrazol-5-yl]ethyl]-N-methylcarbamate
CID 122492575
tert-butyl N-[3-[2-(4-bromo-2-pyridinyl)-1H-imidazol-5-yl]propyl]-N-methylcarbamate
CID 130195033
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate (CID 122492608) is tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate is CN(CCc1ccn[nH]1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate?
The InChIKey is CWXMLUQRUVSNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)14(4)8-6-9-5-7-12-13-9/h5,7H,6,8H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate has a molecular weight of 225.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 122492608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).