[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine

C12H22N4O — CID 43122234

IUPAC[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CC(C)OC(C)C2)c1CN
InChIInChI=1S/C12H22N4O/c1-8-6-16(7-9(2)17-8)12-11(5-13)10(3)14-15(12)4/h8-9H,5-7,13H2,1-4H3
InChIKeyYQLPWWAZMCSSGV-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.80
Rot. Bonds2

About [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine

[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 43122234) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID43122234
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CC(C)OC(C)C2)c1CN
InChIInChI=1S/C12H22N4O/c1-8-6-16(7-9(2)17-8)12-11(5-13)10(3)14-15(12)4/h8-9H,5-7,13H2,1-4H3
InChIKeyYQLPWWAZMCSSGV-UHFFFAOYSA-N
XLogP0.80
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine
CID 66392435
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 104959482
[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine
CID 43122238
N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 104959480
N-[[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060693
[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
CID 63171037
5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 66013961
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
CID 43590482
[5-(8-azaspiro[4.5]decan-8-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 55225901
1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine
CID 66371633
[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 65283757
2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889323

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine (CID 43122234) is [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine is Cc1nn(C)c(N2CC(C)OC(C)C2)c1CN.
What is the InChIKey of [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is YQLPWWAZMCSSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-6-16(7-9(2)17-8)12-11(5-13)10(3)14-15(12)4/h8-9H,5-7,13H2,1-4H3.
What are the key properties of [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 43122234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).