[2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine

C17H25N3O — CID 82696077

IUPAC[2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
SMILESCCc1cc(CC)n(CCCOc2ccccc2CN)n1
InChIInChI=1S/C17H25N3O/c1-3-15-12-16(4-2)20(19-15)10-7-11-21-17-9-6-5-8-14(17)13-18/h5-6,8-9,12H,3-4,7,10-11,13,18H2,1-2H3
InChIKeyVOFSKIZEFBQQMQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds8

About [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine

[2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine (PubChem CID 82696077) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
PubChem CID82696077
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
SMILESCCc1cc(CC)n(CCCOc2ccccc2CN)n1
InChIInChI=1S/C17H25N3O/c1-3-15-12-16(4-2)20(19-15)10-7-11-21-17-9-6-5-8-14(17)13-18/h5-6,8-9,12H,3-4,7,10-11,13,18H2,1-2H3
InChIKeyVOFSKIZEFBQQMQ-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
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

[4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
CID 82696076
[2-[3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]methanamine
CID 61225953
1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone
CID 82698498
3-[3-(3,5-diethylpyrazol-1-yl)propoxy]benzonitrile
CID 82696240
[2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 43530019
3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazole
CID 82699534
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254053
3,5-diethyl-1-propylpyrazole
CID 82699697
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107713078
[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
CID 61218601
[2-[3-(1-methylpyrazol-4-yl)sulfanylpropoxy]phenyl]methanamine
CID 61385307

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine?
The IUPAC name of [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine (CID 82696077) is [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine is CCc1cc(CC)n(CCCOc2ccccc2CN)n1.
What is the InChIKey of [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine?
The InChIKey is VOFSKIZEFBQQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-15-12-16(4-2)20(19-15)10-7-11-21-17-9-6-5-8-14(17)13-18/h5-6,8-9,12H,3-4,7,10-11,13,18H2,1-2H3.
What are the key properties of [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine?
[2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 82696077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).