2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride

C7H15Cl2N3O — CID 146154019

IUPAC2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride
SMILESCOCC(N)c1ccnn1C.Cl.Cl
InChIInChI=1S/C7H13N3O.2ClH/c1-10-7(3-4-9-10)6(8)5-11-2;;/h3-4,6H,5,8H2,1-2H3;2*1H
InChIKeyIXKFIYWAXNXGAQ-UHFFFAOYSA-N
MW228.12 g/mol
LogP0.91
Rot. Bonds3

About 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride

2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride (PubChem CID 146154019) has the molecular formula C7H15Cl2N3O and a molecular weight of 228.12 g/mol. Its IUPAC name is 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride
PubChem CID146154019
Molecular FormulaC7H15Cl2N3O
Molecular Weight228.12 g/mol
Exact Mass227.06
IUPAC Name2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride
SMILESCOCC(N)c1ccnn1C.Cl.Cl
InChIInChI=1S/C7H13N3O.2ClH/c1-10-7(3-4-9-10)6(8)5-11-2;;/h3-4,6H,5,8H2,1-2H3;2*1H
InChIKeyIXKFIYWAXNXGAQ-UHFFFAOYSA-N
XLogP0.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride (CID 146154019) is 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride is COCC(N)c1ccnn1C.Cl.Cl.
What is the InChIKey of 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride?
The InChIKey is IXKFIYWAXNXGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.2ClH/c1-10-7(3-4-9-10)6(8)5-11-2;;/h3-4,6H,5,8H2,1-2H3;2*1H.
What are the key properties of 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride?
2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride has a molecular weight of 228.12 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 146154019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).