2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C14H17F2N3 — CID 105137759

IUPAC2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1C(N)Cc1cccc(F)c1F
InChIInChI=1S/C14H17F2N3/c1-3-19-13(7-9(2)18-19)12(17)8-10-5-4-6-11(15)14(10)16/h4-7,12H,3,8,17H2,1-2H3
InChIKeyXNKRVGCWFVXJMZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.73
Rot. Bonds4

About 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105137759) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105137759
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1C(N)Cc1cccc(F)c1F
InChIInChI=1S/C14H17F2N3/c1-3-19-13(7-9(2)18-19)12(17)8-10-5-4-6-11(15)14(10)16/h4-7,12H,3,8,17H2,1-2H3
InChIKeyXNKRVGCWFVXJMZ-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188301
2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105101126
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503218
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123659
2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105118256
1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105150858
2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 105038776
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 82806876
2-(2,3-difluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279328
(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine
CID 105100495
1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
CID 105174400
1-(2,3-difluorophenyl)-2-methylpentan-3-amine
CID 63561895

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105137759) is 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCn1nc(C)cc1C(N)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is XNKRVGCWFVXJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-19-13(7-9(2)18-19)12(17)8-10-5-4-6-11(15)14(10)16/h4-7,12H,3,8,17H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105137759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).