[2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C13H22N4O2 — CID 81211451

IUPAC[2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC(CN)OCC1C
InChIInChI=1S/C13H22N4O2/c1-8-7-19-11(5-14)6-17(8)13(18)12-9(2)15-16(4)10(12)3/h8,11H,5-7,14H2,1-4H3
InChIKeyFMVQRHZRIHSUPE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.23
Rot. Bonds2

About [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 81211451) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID81211451
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC(CN)OCC1C
InChIInChI=1S/C13H22N4O2/c1-8-7-19-11(5-14)6-17(8)13(18)12-9(2)15-16(4)10(12)3/h8,11H,5-7,14H2,1-4H3
InChIKeyFMVQRHZRIHSUPE-UHFFFAOYSA-N
XLogP0.23
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212515
1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81211868
[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97329931
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 102785588
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129485457
1-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2-cyclopropylpropan-1-one
CID 83151811
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 82815850
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 81211614
[1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107499354
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
CID 81217697
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 79547043
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107376367

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 81211451) is [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CC(CN)OCC1C.
What is the InChIKey of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is FMVQRHZRIHSUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-7-19-11(5-14)6-17(8)13(18)12-9(2)15-16(4)10(12)3/h8,11H,5-7,14H2,1-4H3.
What are the key properties of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 81211451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).