1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

C16H22FN3 — CID 105377494

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cc(C)nn1C
InChIInChI=1S/C16H22FN3/c1-5-18-15(16-8-12(3)19-20(16)4)10-13-9-14(17)7-6-11(13)2/h6-9,15,18H,5,10H2,1-4H3
InChIKeyYSDOVLSRTOOHOK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.07
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105377494) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105377494
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cc(C)nn1C
InChIInChI=1S/C16H22FN3/c1-5-18-15(16-8-12(3)19-20(16)4)10-13-9-14(17)7-6-11(13)2/h6-9,15,18H,5,10H2,1-4H3
InChIKeyYSDOVLSRTOOHOK-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377138
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142391
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106866129
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 105373892
N-[2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 105190484
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 105374183
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105143642
2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 105136476
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105177590

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105377494) is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1C)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is YSDOVLSRTOOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-5-18-15(16-8-12(3)19-20(16)4)10-13-9-14(17)7-6-11(13)2/h6-9,15,18H,5,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105377494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).