tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate

C13H22N4O3 — CID 118023184

IUPACtert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(Cn2cc(N)cn2)C1
InChIInChI=1S/C13H22N4O3/c1-13(2,3)20-12(18)16-4-5-19-11(8-16)9-17-7-10(14)6-15-17/h6-7,11H,4-5,8-9,14H2,1-3H3
InChIKeyWNTSVFACNCAXHI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.10
Rot. Bonds2

About tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate

tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate (PubChem CID 118023184) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
PubChem CID118023184
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Nametert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(Cn2cc(N)cn2)C1
InChIInChI=1S/C13H22N4O3/c1-13(2,3)20-12(18)16-4-5-19-11(8-16)9-17-7-10(14)6-15-17/h6-7,11H,4-5,8-9,14H2,1-3H3
InChIKeyWNTSVFACNCAXHI-UHFFFAOYSA-N
XLogP1.10
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881082
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate
CID 168707579
tert-butyl 2-[(4-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567737
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
tert-butyl (2S)-2-(benzylsulfonylmethyl)morpholine-4-carboxylate
CID 141474930
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119947134
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate (CID 118023184) is tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(Cn2cc(N)cn2)C1.
What is the InChIKey of tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate?
The InChIKey is WNTSVFACNCAXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-13(2,3)20-12(18)16-4-5-19-11(8-16)9-17-7-10(14)6-15-17/h6-7,11H,4-5,8-9,14H2,1-3H3.
What are the key properties of tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate?
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 118023184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).