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

C9H14F3N3O — CID 10198605

IUPACN,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine
SMILESCN(C)CCCOc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C9H14F3N3O/c1-15(2)4-3-5-16-8-6-7(13-14-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyLAXDENARCGFMLJ-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.76
Rot. Bonds5

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

N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine (PubChem CID 10198605) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine
PubChem CID10198605
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine
SMILESCN(C)CCCOc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C9H14F3N3O/c1-15(2)4-3-5-16-8-6-7(13-14-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyLAXDENARCGFMLJ-UHFFFAOYSA-N
XLogP1.76
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.76
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-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine (CID 10198605) is N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine is CN(C)CCCOc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine?
The InChIKey is LAXDENARCGFMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-15(2)4-3-5-16-8-6-7(13-14-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine has a molecular weight of 237.22 g/mol, XLogP of 1.76, 5 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-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propan-1-amine is sourced from PubChem (CID 10198605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).