N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine

C14H18FN3 — CID 55078546

IUPACN-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(-n2ccc(C)n2)c(F)c1
InChIInChI=1S/C14H18FN3/c1-4-16-11(3)12-5-6-14(13(15)9-12)18-8-7-10(2)17-18/h5-9,11,16H,4H2,1-3H3
InChIKeyCAWPHSPIRUSQSK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.99
Rot. Bonds4

About N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine

N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 55078546) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
PubChem CID55078546
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(-n2ccc(C)n2)c(F)c1
InChIInChI=1S/C14H18FN3/c1-4-16-11(3)12-5-6-14(13(15)9-12)18-8-7-10(2)17-18/h5-9,11,16H,4H2,1-3H3
InChIKeyCAWPHSPIRUSQSK-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 62488667
(1S)-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 78941388
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968056
1-[4-(1,3-dihydroisoindol-2-yl)-3-fluorophenyl]-N-ethylethanamine
CID 62205579
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
CID 104959064
N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 79170582
N-ethyl-1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanamine
CID 43284437
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283969
1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]-N-ethylethanamine
CID 65281352
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine (CID 55078546) is N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine is CCNC(C)c1ccc(-n2ccc(C)n2)c(F)c1.
What is the InChIKey of N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is CAWPHSPIRUSQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-4-16-11(3)12-5-6-14(13(15)9-12)18-8-7-10(2)17-18/h5-9,11,16H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 55078546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).