3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride

C11H21ClFN3O — CID 126965471

IUPAC3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCCOCCCNCc1c(C)nn(C)c1F.Cl
InChIInChI=1S/C11H20FN3O.ClH/c1-4-16-7-5-6-13-8-10-9(2)14-15(3)11(10)12;/h13H,4-8H2,1-3H3;1H
InChIKeyMFKPUMOBVCLYSH-UHFFFAOYSA-N
MW265.76 g/mol
LogP1.81
Rot. Bonds7

About 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride

3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 126965471) has the molecular formula C11H21ClFN3O and a molecular weight of 265.76 g/mol. Its IUPAC name is 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
PubChem CID126965471
Molecular FormulaC11H21ClFN3O
Molecular Weight265.76 g/mol
Exact Mass265.14
IUPAC Name3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCCOCCCNCc1c(C)nn(C)c1F.Cl
InChIInChI=1S/C11H20FN3O.ClH/c1-4-16-7-5-6-13-8-10-9(2)14-15(3)11(10)12;/h13H,4-8H2,1-3H3;1H
InChIKeyMFKPUMOBVCLYSH-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine
CID 122165875
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126965357
3-(2,2,2-trifluoroethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 112727734
3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine
CID 122166315
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115600667
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine
CID 63691553
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122169118
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]heptan-1-amine
CID 122165932

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride (CID 126965471) is 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride is CCOCCCNCc1c(C)nn(C)c1F.Cl.
What is the InChIKey of 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is MFKPUMOBVCLYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O.ClH/c1-4-16-7-5-6-13-8-10-9(2)14-15(3)11(10)12;/h13H,4-8H2,1-3H3;1H.
What are the key properties of 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 265.76 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 126965471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).