2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine

C8H15N3O2 — CID 79492637

IUPAC2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCOC(OC)C(N)c1ccnn1C
InChIInChI=1S/C8H15N3O2/c1-11-6(4-5-10-11)7(9)8(12-2)13-3/h4-5,7-8H,9H2,1-3H3
InChIKeyREPYTGBIOBYFEP-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.04
Rot. Bonds4

About 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine

2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 79492637) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID79492637
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCOC(OC)C(N)c1ccnn1C
InChIInChI=1S/C8H15N3O2/c1-11-6(4-5-10-11)7(9)8(12-2)13-3/h4-5,7-8H,9H2,1-3H3
InChIKeyREPYTGBIOBYFEP-UHFFFAOYSA-N
XLogP0.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
CID 116771231
2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile
CID 165477234
2-methoxy-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83827130
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 105098269
(2-methylcyclopropyl)-(2-methylpyrazol-3-yl)methanamine
CID 65422135
furan-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 63962037
(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858366
(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 115858819
2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine
CID 116724449
[4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)pentyl]hydrazine
CID 103026636
(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148609
(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 107503143

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine (CID 79492637) is 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine is COC(OC)C(N)c1ccnn1C.
What is the InChIKey of 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is REPYTGBIOBYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-11-6(4-5-10-11)7(9)8(12-2)13-3/h4-5,7-8H,9H2,1-3H3.
What are the key properties of 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine?
2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 185.23 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 79492637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).