N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine

C9H17N3O — CID 82710249

IUPACN-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine
SMILESCC(C)CONC(C)c1ccn[nH]1
InChIInChI=1S/C9H17N3O/c1-7(2)6-13-12-8(3)9-4-5-10-11-9/h4-5,7-8,12H,6H2,1-3H3,(H,10,11)
InChIKeyJEKNGGYDEMYLKZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.65
Rot. Bonds5

About N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine

N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine (PubChem CID 82710249) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine
PubChem CID82710249
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine
SMILESCC(C)CONC(C)c1ccn[nH]1
InChIInChI=1S/C9H17N3O/c1-7(2)6-13-12-8(3)9-4-5-10-11-9/h4-5,7-8,12H,6H2,1-3H3,(H,10,11)
InChIKeyJEKNGGYDEMYLKZ-UHFFFAOYSA-N
XLogP1.65
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine (CID 82710249) is N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine is CC(C)CONC(C)c1ccn[nH]1.
What is the InChIKey of N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is JEKNGGYDEMYLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)6-13-12-8(3)9-4-5-10-11-9/h4-5,7-8,12H,6H2,1-3H3,(H,10,11).
What are the key properties of N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine?
N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 82710249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).