tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate

C16H28N4O3 — CID 107249547

IUPACtert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
SMILESCc1nn(C)cc1CNCC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O3/c1-12-13(10-19(5)18-12)8-17-9-14-11-22-7-6-20(14)15(21)23-16(2,3)4/h10,14,17H,6-9,11H2,1-5H3
InChIKeyPMTGZZYZGPLZER-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.45
Rot. Bonds4

About tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate

tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate (PubChem CID 107249547) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
PubChem CID107249547
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
SMILESCc1nn(C)cc1CNCC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O3/c1-12-13(10-19(5)18-12)8-17-9-14-11-22-7-6-20(14)15(21)23-16(2,3)4/h10,14,17H,6-9,11H2,1-5H3
InChIKeyPMTGZZYZGPLZER-UHFFFAOYSA-N
XLogP1.45
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249570
tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249731
tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107249690
tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103851501
tert-butyl 3-[[(5-bromothiophen-3-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249698
tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 103851562
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 104954264
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104856522
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate (CID 107249547) is tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate is Cc1nn(C)cc1CNCC1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate?
The InChIKey is PMTGZZYZGPLZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12-13(10-19(5)18-12)8-17-9-14-11-22-7-6-20(14)15(21)23-16(2,3)4/h10,14,17H,6-9,11H2,1-5H3.
What are the key properties of tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate?
tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate has a molecular weight of 324.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107249547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).