2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine

C6H11N3O — CID 81342156

IUPAC2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine
SMILESCc1cc(OCCN)n[nH]1
InChIInChI=1S/C6H11N3O/c1-5-4-6(9-8-5)10-3-2-7/h4H,2-3,7H2,1H3,(H,8,9)
InChIKeyBHOXBNJGHZTIME-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.06
Rot. Bonds3

About 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine

2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine (PubChem CID 81342156) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine
PubChem CID81342156
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine
SMILESCc1cc(OCCN)n[nH]1
InChIInChI=1S/C6H11N3O/c1-5-4-6(9-8-5)10-3-2-7/h4H,2-3,7H2,1H3,(H,8,9)
InChIKeyBHOXBNJGHZTIME-UHFFFAOYSA-N
XLogP0.06
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine (CID 81342156) is 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine is Cc1cc(OCCN)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine?
The InChIKey is BHOXBNJGHZTIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-4-6(9-8-5)10-3-2-7/h4H,2-3,7H2,1H3,(H,8,9).
What are the key properties of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine?
2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine has a molecular weight of 141.17 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine is sourced from PubChem (CID 81342156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).