N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine

C17H24FN3 — CID 105119622

IUPACN-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1F)c1cc(CC)nn1CC
InChIInChI=1S/C17H24FN3/c1-4-11-19-17(14-9-7-8-10-15(14)18)16-12-13(5-2)20-21(16)6-3/h7-10,12,17,19H,4-6,11H2,1-3H3
InChIKeyVGPUFCFITCGWKA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.69
Rot. Bonds7

About N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine

N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine (PubChem CID 105119622) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine
PubChem CID105119622
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1F)c1cc(CC)nn1CC
InChIInChI=1S/C17H24FN3/c1-4-11-19-17(14-9-7-8-10-15(14)18)16-12-13(5-2)20-21(16)6-3/h7-10,12,17,19H,4-6,11H2,1-3H3
InChIKeyVGPUFCFITCGWKA-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105099735
N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102842163
N-[(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 105173638
N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143126
N-[(3-bromo-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 106647758
[(1,3-diethylpyrazol-5-yl)-(2,6-difluorophenyl)methyl]hydrazine
CID 105308082
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 105109029
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 105149786
[(1,3-diethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302786
1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142360
N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100
N-[(2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63085577

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine (CID 105119622) is N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccccc1F)c1cc(CC)nn1CC.
What is the InChIKey of N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine?
The InChIKey is VGPUFCFITCGWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-11-19-17(14-9-7-8-10-15(14)18)16-12-13(5-2)20-21(16)6-3/h7-10,12,17,19H,4-6,11H2,1-3H3.
What are the key properties of N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine?
N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 105119622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).