N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine

C17H24FN3 — CID 102812296

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)c1cn(C)nc1CC
InChIInChI=1S/C17H24FN3/c1-5-9-19-17(13-7-8-15(18)12(3)10-13)14-11-21(4)20-16(14)6-2/h7-8,10-11,17,19H,5-6,9H2,1-4H3
InChIKeyWMKVKDUIMDIONZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.52
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine (PubChem CID 102812296) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
PubChem CID102812296
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)c1cn(C)nc1CC
InChIInChI=1S/C17H24FN3/c1-5-9-19-17(13-7-8-15(18)12(3)10-13)14-11-21(4)20-16(14)6-2/h7-8,10-11,17,19H,5-6,9H2,1-4H3
InChIKeyWMKVKDUIMDIONZ-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 102812310
[(3-ethyl-1-methylpyrazol-4-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131050
N-[(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 79721561
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105143076
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
[(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
CID 107562686
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 115885783
N-[(4,5-dimethylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 79746806
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine (CID 102812296) is N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(C)c1)c1cn(C)nc1CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is WMKVKDUIMDIONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-5-9-19-17(13-7-8-15(18)12(3)10-13)14-11-21(4)20-16(14)6-2/h7-8,10-11,17,19H,5-6,9H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 102812296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).