2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine

C12H21ClN4O — CID 79093524

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCc1nn(C)c(CC(N)C2CN(C)CCO2)c1Cl
InChIInChI=1S/C12H21ClN4O/c1-8-12(13)10(17(3)15-8)6-9(14)11-7-16(2)4-5-18-11/h9,11H,4-7,14H2,1-3H3
InChIKeyQZKGQWDIQRFDMU-UHFFFAOYSA-N
MW272.78 g/mol
LogP0.58
Rot. Bonds3

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine (PubChem CID 79093524) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine
PubChem CID79093524
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCc1nn(C)c(CC(N)C2CN(C)CCO2)c1Cl
InChIInChI=1S/C12H21ClN4O/c1-8-12(13)10(17(3)15-8)6-9(14)11-7-16(2)4-5-18-11/h9,11H,4-7,14H2,1-3H3
InChIKeyQZKGQWDIQRFDMU-UHFFFAOYSA-N
XLogP0.58
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 79088399
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247717
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79974141
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603689
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963689
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093448
1-(4-methylmorpholin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79093432
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(thiolan-2-yl)ethanamine
CID 80621779
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79962616
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093134
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
CID 81209692
2-(furan-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 83183147

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine (CID 79093524) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine is Cc1nn(C)c(CC(N)C2CN(C)CCO2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The InChIKey is QZKGQWDIQRFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-8-12(13)10(17(3)15-8)6-9(14)11-7-16(2)4-5-18-11/h9,11H,4-7,14H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine has a molecular weight of 272.78 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79093524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).