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

C8H15N3O — CID 83095091

IUPAC2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine
SMILESCOC(CN)c1cn(C)nc1C
InChIInChI=1S/C8H15N3O/c1-6-7(5-11(2)10-6)8(4-9)12-3/h5,8H,4,9H2,1-3H3
InChIKeyRQHYBXBHHBYURL-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.37
Rot. Bonds3

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

2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine (PubChem CID 83095091) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine
PubChem CID83095091
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine
SMILESCOC(CN)c1cn(C)nc1C
InChIInChI=1S/C8H15N3O/c1-6-7(5-11(2)10-6)8(4-9)12-3/h5,8H,4,9H2,1-3H3
InChIKeyRQHYBXBHHBYURL-UHFFFAOYSA-N
XLogP0.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697079
N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 83089687
2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 83088573
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
2-methoxy-2-(1-methyltriazol-4-yl)ethanamine
CID 130599175
N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine
CID 83089088
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 113475087
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089708
ethyl 3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089787

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine (CID 83095091) is 2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine is COC(CN)c1cn(C)nc1C.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine?
The InChIKey is RQHYBXBHHBYURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-7(5-11(2)10-6)8(4-9)12-3/h5,8H,4,9H2,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine?
2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine is sourced from PubChem (CID 83095091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).