1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine

C12H15N3O — CID 117230498

IUPAC1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine
SMILESCc1ccc(-n2cc(OC(C)N)cn2)cc1
InChIInChI=1S/C12H15N3O/c1-9-3-5-11(6-4-9)15-8-12(7-14-15)16-10(2)13/h3-8,10H,13H2,1-2H3
InChIKeyFKJNKJRWILUFNJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.86
Rot. Bonds3

About 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine

1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine (PubChem CID 117230498) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine
PubChem CID117230498
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine
SMILESCc1ccc(-n2cc(OC(C)N)cn2)cc1
InChIInChI=1S/C12H15N3O/c1-9-3-5-11(6-4-9)15-8-12(7-14-15)16-10(2)13/h3-8,10H,13H2,1-2H3
InChIKeyFKJNKJRWILUFNJ-UHFFFAOYSA-N
XLogP1.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine?
The IUPAC name of 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine (CID 117230498) is 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine.
What is the SMILES notation for 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine?
The canonical SMILES for 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine is Cc1ccc(-n2cc(OC(C)N)cn2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine?
The InChIKey is FKJNKJRWILUFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-5-11(6-4-9)15-8-12(7-14-15)16-10(2)13/h3-8,10H,13H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine?
1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine is sourced from PubChem (CID 117230498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).