N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine

C17H24FN3 — CID 61227145

IUPACN-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1-n1nc(C)c(C)c1C
InChIInChI=1S/C17H24FN3/c1-6-10-19-13(4)17-15(18)8-7-9-16(17)21-14(5)11(2)12(3)20-21/h7-9,13,19H,6,10H2,1-5H3
InChIKeyUGXBWJTUAANZLT-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.00
Rot. Bonds5

About N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 61227145) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID61227145
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1-n1nc(C)c(C)c1C
InChIInChI=1S/C17H24FN3/c1-6-10-19-13(4)17-15(18)8-7-9-16(17)21-14(5)11(2)12(3)20-21/h7-9,13,19H,6,10H2,1-5H3
InChIKeyUGXBWJTUAANZLT-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 61237972
1-(3-fluoro-2-nitrophenyl)-3,4,5-trimethylpyrazole
CID 62690850
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61238667
N-[1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62129571
N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine
CID 43584613
N-[[3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 63076996
1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 62351694
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79218906
N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
CID 62130367

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine (CID 61227145) is N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1-n1nc(C)c(C)c1C.
What is the InChIKey of N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is UGXBWJTUAANZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-6-10-19-13(4)17-15(18)8-7-9-16(17)21-14(5)11(2)12(3)20-21/h7-9,13,19H,6,10H2,1-5H3.
What are the key properties of N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 61227145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).