N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine

C15H21N3O — CID 106757757

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
SMILESCC(NCCCOc1ccccc1)c1ccnn1C
InChIInChI=1S/C15H21N3O/c1-13(15-9-11-17-18(15)2)16-10-6-12-19-14-7-4-3-5-8-14/h3-5,7-9,11,13,16H,6,10,12H2,1-2H3
InChIKeyAIHNCOSYWGEXIL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.54
Rot. Bonds7

About N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine

N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine (PubChem CID 106757757) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
PubChem CID106757757
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
SMILESCC(NCCCOc1ccccc1)c1ccnn1C
InChIInChI=1S/C15H21N3O/c1-13(15-9-11-17-18(15)2)16-10-6-12-19-14-7-4-3-5-8-14/h3-5,7-9,11,13,16H,6,10,12H2,1-2H3
InChIKeyAIHNCOSYWGEXIL-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
3-phenoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 62379121
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
CID 60765949
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 106756981
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
CID 107093548
3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 62380024

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine (CID 106757757) is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine is CC(NCCCOc1ccccc1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine?
The InChIKey is AIHNCOSYWGEXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(15-9-11-17-18(15)2)16-10-6-12-19-14-7-4-3-5-8-14/h3-5,7-9,11,13,16H,6,10,12H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine?
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 106757757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).