N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C17H24FN3 — CID 64770867

IUPACN-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1cc(F)ccc1C
InChIInChI=1S/C17H24FN3/c1-5-19-17(16-10-14(18)7-6-13(16)4)11-15-8-9-21(20-15)12(2)3/h6-10,12,17,19H,5,11H2,1-4H3
InChIKeyNIXLHWUHCUJJQM-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.80
Rot. Bonds6

About N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 64770867) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID64770867
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1cc(F)ccc1C
InChIInChI=1S/C17H24FN3/c1-5-19-17(16-10-14(18)7-6-13(16)4)11-15-8-9-21(20-15)12(2)3/h6-10,12,17,19H,5,11H2,1-4H3
InChIKeyNIXLHWUHCUJJQM-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771568
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107503911
N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990155
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
N-[1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 114878605
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312714
[1-(2-chloro-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105215278
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79712344
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154905

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 64770867) is N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C(C)C)n1)c1cc(F)ccc1C.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is NIXLHWUHCUJJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-5-19-17(16-10-14(18)7-6-13(16)4)11-15-8-9-21(20-15)12(2)3/h6-10,12,17,19H,5,11H2,1-4H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 64770867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).