N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine

C16H23N3O — CID 10659874

IUPACN,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCCN(CC)CCCOc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C16H23N3O/c1-3-19(4-2)11-8-12-20-16-13-15(17-18-16)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,18)
InChIKeyPOQGZXIYCUYSRH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.19
Rot. Bonds8

About N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine

N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine (PubChem CID 10659874) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
PubChem CID10659874
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCCN(CC)CCCOc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C16H23N3O/c1-3-19(4-2)11-8-12-20-16-13-15(17-18-16)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,18)
InChIKeyPOQGZXIYCUYSRH-UHFFFAOYSA-N
XLogP3.19
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine (CID 10659874) is N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine is CCN(CC)CCCOc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The InChIKey is POQGZXIYCUYSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19(4-2)11-8-12-20-16-13-15(17-18-16)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,18).
What are the key properties of N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine is sourced from PubChem (CID 10659874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).