1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine

C13H16FN3O — CID 64853416

IUPAC1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine
SMILESCc1ccc(F)c(OCCCn2ccc(N)n2)c1
InChIInChI=1S/C13H16FN3O/c1-10-3-4-11(14)12(9-10)18-8-2-6-17-7-5-13(15)16-17/h3-5,7,9H,2,6,8H2,1H3,(H2,15,16)
InChIKeyGAQMZPAAZHMNPH-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.38
Rot. Bonds5

About 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine

1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine (PubChem CID 64853416) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine
PubChem CID64853416
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine
SMILESCc1ccc(F)c(OCCCn2ccc(N)n2)c1
InChIInChI=1S/C13H16FN3O/c1-10-3-4-11(14)12(9-10)18-8-2-6-17-7-5-13(15)16-17/h3-5,7,9H,2,6,8H2,1H3,(H2,15,16)
InChIKeyGAQMZPAAZHMNPH-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine (CID 64853416) is 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine is Cc1ccc(F)c(OCCCn2ccc(N)n2)c1.
What is the InChIKey of 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine?
The InChIKey is GAQMZPAAZHMNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-10-3-4-11(14)12(9-10)18-8-2-6-17-7-5-13(15)16-17/h3-5,7,9H,2,6,8H2,1H3,(H2,15,16).
What are the key properties of 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine?
1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine has a molecular weight of 249.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-5-methylphenoxy)propyl]pyrazol-3-amine is sourced from PubChem (CID 64853416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).