N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine

C15H21N3O — CID 81341788

IUPACN-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine
SMILESCCCNCC(Oc1cc(C)[nH]n1)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-9-16-11-14(13-7-5-4-6-8-13)19-15-10-12(2)17-18-15/h4-8,10,14,16H,3,9,11H2,1-2H3,(H,17,18)
InChIKeyFONHHAJCTBADHM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.84
Rot. Bonds7

About N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine

N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine (PubChem CID 81341788) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine
PubChem CID81341788
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine
SMILESCCCNCC(Oc1cc(C)[nH]n1)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-9-16-11-14(13-7-5-4-6-8-13)19-15-10-12(2)17-18-15/h4-8,10,14,16H,3,9,11H2,1-2H3,(H,17,18)
InChIKeyFONHHAJCTBADHM-UHFFFAOYSA-N
XLogP2.84
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxy-2-phenylethyl)propan-1-amine
CID 62452576
N-[2-(3,4-dichlorophenoxy)-2-phenylethyl]propan-1-amine
CID 63498262
N-(2-phenyl-2-propan-2-yloxyethyl)propan-1-amine
CID 62108020
N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 107661150
N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine
CID 63647905
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908531
N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 81342336
N-[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
CID 81341286
N-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 81342343
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine
CID 81342161
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489
3-ethoxy-5-methyl-1H-pyrazole;hydrochloride
CID 53398899

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine (CID 81341788) is N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine is CCCNCC(Oc1cc(C)[nH]n1)c1ccccc1.
What is the InChIKey of N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine?
The InChIKey is FONHHAJCTBADHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-16-11-14(13-7-5-4-6-8-13)19-15-10-12(2)17-18-15/h4-8,10,14,16H,3,9,11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine?
N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 81341788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).