2-(1,4-dimethylpyrazol-3-yl)morpholine

C9H15N3O — CID 131585478

IUPAC2-(1,4-dimethylpyrazol-3-yl)morpholine
SMILESCc1cn(C)nc1C1CNCCO1
InChIInChI=1S/C9H15N3O/c1-7-6-12(2)11-9(7)8-5-10-3-4-13-8/h6,8,10H,3-5H2,1-2H3
InChIKeyBKJZFSZZMGJXGL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.39
Rot. Bonds1

About 2-(1,4-dimethylpyrazol-3-yl)morpholine

2-(1,4-dimethylpyrazol-3-yl)morpholine (PubChem CID 131585478) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-3-yl)morpholine.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-3-yl)morpholine
PubChem CID131585478
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(1,4-dimethylpyrazol-3-yl)morpholine
SMILESCc1cn(C)nc1C1CNCCO1
InChIInChI=1S/C9H15N3O/c1-7-6-12(2)11-9(7)8-5-10-3-4-13-8/h6,8,10H,3-5H2,1-2H3
InChIKeyBKJZFSZZMGJXGL-UHFFFAOYSA-N
XLogP0.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 94552518
ethane;2-(1-methylpyrazol-4-yl)morpholine
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2-(1,5-dimethylpyrazol-3-yl)morpholine
CID 82601049
2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971863
2-methyl-5-morpholin-2-ylbenzene-1,4-diol
CID 117298411
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
3-methyl-4-morpholin-2-ylphenol
CID 67032452
2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815
(2S)-2-(1-methylpyrazol-4-yl)-1,4-oxazepane
CID 96749778
2-(4-methylpyrimidin-2-yl)morpholine
CID 116901757
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
(2R)-2-(5-methyl-1H-pyrazol-3-yl)morpholine
CID 96740317

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-3-yl)morpholine?
The IUPAC name of 2-(1,4-dimethylpyrazol-3-yl)morpholine (CID 131585478) is 2-(1,4-dimethylpyrazol-3-yl)morpholine.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-3-yl)morpholine?
The canonical SMILES for 2-(1,4-dimethylpyrazol-3-yl)morpholine is Cc1cn(C)nc1C1CNCCO1.
What is the InChIKey of 2-(1,4-dimethylpyrazol-3-yl)morpholine?
The InChIKey is BKJZFSZZMGJXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-6-12(2)11-9(7)8-5-10-3-4-13-8/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpyrazol-3-yl)morpholine?
2-(1,4-dimethylpyrazol-3-yl)morpholine has a molecular weight of 181.24 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-3-yl)morpholine is sourced from PubChem (CID 131585478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).