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

C14H19N3O — CID 3070785

IUPACN,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C14H19N3O/c1-17(2)9-6-10-18-14-11-13(15-16-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16)
InChIKeyZRAIUCFYPHIDBF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.41
Rot. Bonds6

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

N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine (PubChem CID 3070785) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
PubChem CID3070785
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C14H19N3O/c1-17(2)9-6-10-18-14-11-13(15-16-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16)
InChIKeyZRAIUCFYPHIDBF-UHFFFAOYSA-N
XLogP2.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.41
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-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine (CID 3070785) is N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine is CN(C)CCCOc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The InChIKey is ZRAIUCFYPHIDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17(2)9-6-10-18-14-11-13(15-16-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16).
What are the key properties of N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine is sourced from PubChem (CID 3070785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).