tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate

C20H28N4O3 — CID 71844322

IUPACtert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CN2CCOC(Cn3cccn3)C2)c1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)22-17-7-4-6-16(12-17)13-23-10-11-26-18(14-23)15-24-9-5-8-21-24/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,22,25)
InChIKeyAZPUUIMTQBYFMS-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.13
Rot. Bonds5

About tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate

tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate (PubChem CID 71844322) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate
PubChem CID71844322
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Nametert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CN2CCOC(Cn3cccn3)C2)c1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)22-17-7-4-6-16(12-17)13-23-10-11-26-18(14-23)15-24-9-5-8-21-24/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,22,25)
InChIKeyAZPUUIMTQBYFMS-UHFFFAOYSA-N
XLogP3.13
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
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4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
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2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate (CID 71844322) is tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(CN2CCOC(Cn3cccn3)C2)c1.
What is the InChIKey of tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate?
The InChIKey is AZPUUIMTQBYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)22-17-7-4-6-16(12-17)13-23-10-11-26-18(14-23)15-24-9-5-8-21-24/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate?
tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate has a molecular weight of 372.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 71844322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).