N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine

C15H21N3O — CID 61491603

IUPACN-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C15H21N3O/c1-2-7-16-13-14-5-3-6-15(12-14)19-11-10-18-9-4-8-17-18/h3-6,8-9,12,16H,2,7,10-11,13H2,1H3
InChIKeyQWNTUEYIXOQXLB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds8

About N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine

N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 61491603) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
PubChem CID61491603
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C15H21N3O/c1-2-7-16-13-14-5-3-6-15(12-14)19-11-10-18-9-4-8-17-18/h3-6,8-9,12,16H,2,7,10-11,13H2,1H3
InChIKeyQWNTUEYIXOQXLB-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
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

N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 61493250
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491744
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
N-[(3-pent-4-ynoxyphenyl)methyl]propan-1-amine
CID 113374110
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491520

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine (CID 61491603) is N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCCn2cccn2)c1.
What is the InChIKey of N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is QWNTUEYIXOQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-7-16-13-14-5-3-6-15(12-14)19-11-10-18-9-4-8-17-18/h3-6,8-9,12,16H,2,7,10-11,13H2,1H3.
What are the key properties of N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61491603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).