1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine

C13H17N3O — CID 63311157

IUPAC1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine
SMILESCc1ccc(OCCCn2ccc(N)n2)cc1
InChIInChI=1S/C13H17N3O/c1-11-3-5-12(6-4-11)17-10-2-8-16-9-7-13(14)15-16/h3-7,9H,2,8,10H2,1H3,(H2,14,15)
InChIKeyZIMDBRWWRWMUQY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds5

About 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine

1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine (PubChem CID 63311157) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine
PubChem CID63311157
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine
SMILESCc1ccc(OCCCn2ccc(N)n2)cc1
InChIInChI=1S/C13H17N3O/c1-11-3-5-12(6-4-11)17-10-2-8-16-9-7-13(14)15-16/h3-7,9H,2,8,10H2,1H3,(H2,14,15)
InChIKeyZIMDBRWWRWMUQY-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine (CID 63311157) is 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine is Cc1ccc(OCCCn2ccc(N)n2)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine?
The InChIKey is ZIMDBRWWRWMUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11-3-5-12(6-4-11)17-10-2-8-16-9-7-13(14)15-16/h3-7,9H,2,8,10H2,1H3,(H2,14,15).
What are the key properties of 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine?
1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine is sourced from PubChem (CID 63311157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).