1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine

C15H21N3O — CID 63311289

IUPAC1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine
SMILESCc1ccc(C)c(OCCCn2ccc(N)n2)c1C
InChIInChI=1S/C15H21N3O/c1-11-5-6-12(2)15(13(11)3)19-10-4-8-18-9-7-14(16)17-18/h5-7,9H,4,8,10H2,1-3H3,(H2,16,17)
InChIKeyASRGFPYWWUTRRZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds5

About 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine

1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine (PubChem CID 63311289) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine
PubChem CID63311289
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine
SMILESCc1ccc(C)c(OCCCn2ccc(N)n2)c1C
InChIInChI=1S/C15H21N3O/c1-11-5-6-12(2)15(13(11)3)19-10-4-8-18-9-7-14(16)17-18/h5-7,9H,4,8,10H2,1-3H3,(H2,16,17)
InChIKeyASRGFPYWWUTRRZ-UHFFFAOYSA-N
XLogP2.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
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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Related Compounds

1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]pyrazol-3-amine
CID 63311196
1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine
CID 63311157
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]pyrazol-3-amine
CID 55205423
1-[2-(3,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316031
1-(3-heptoxypropyl)pyrazol-3-amine
CID 63311023
1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316162
1-[3-(2-bromophenoxy)propyl]pyrazol-3-amine
CID 63311464
3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707
1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine
CID 63311244
1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316415
1-[3-(2,4-dichlorophenoxy)propyl]pyrazol-3-amine
CID 63310933
4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide
CID 63310936

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine (CID 63311289) is 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine is Cc1ccc(C)c(OCCCn2ccc(N)n2)c1C.
What is the InChIKey of 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine?
The InChIKey is ASRGFPYWWUTRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-5-6-12(2)15(13(11)3)19-10-4-8-18-9-7-14(16)17-18/h5-7,9H,4,8,10H2,1-3H3,(H2,16,17).
What are the key properties of 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine?
1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine has a molecular weight of 259.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine is sourced from PubChem (CID 63311289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).