3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine

C15H21N3O — CID 10563240

IUPAC3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cc(Cc2ccccc2)[nH]n1
InChIInChI=1S/C15H21N3O/c1-18(2)9-6-10-19-15-12-14(16-17-15)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyJQFIGHVQZLUPTE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.33
Rot. Bonds7

About 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine

3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 10563240) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID10563240
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cc(Cc2ccccc2)[nH]n1
InChIInChI=1S/C15H21N3O/c1-18(2)9-6-10-19-15-12-14(16-17-15)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyJQFIGHVQZLUPTE-UHFFFAOYSA-N
XLogP2.33
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2055996
3,5-dimethyl-4-[3-(4-methylphenoxy)propyl]-1H-pyrazole
CID 2056430
CID 16187655
CID 16187655
N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 3070785
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
3-(Benzyloxy)-1,4,5,6,7,8-hexahydropyrazolo[4,3-d]azepine
CID 45484742
3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyrazole
CID 2058969
4-[4-(2,3-dimethylphenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2232803
4-[4-(4-methoxyphenoxy)butyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 23723114

Frequently Asked Questions

What is the IUPAC name of 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine (CID 10563240) is 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cc(Cc2ccccc2)[nH]n1.
What is the InChIKey of 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is JQFIGHVQZLUPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(2)9-6-10-19-15-12-14(16-17-15)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine?
3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10563240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).