1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C16H21F2N3 — CID 105143859

IUPAC1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3/c1-5-19-16(14-8-12(17)6-7-15(14)18)9-13-10(2)20-21(4)11(13)3/h6-8,16,19H,5,9H2,1-4H3
InChIKeyROGVUCCOSHUBFP-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.21
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105143859) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105143859
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3/c1-5-19-16(14-8-12(17)6-7-15(14)18)9-13-10(2)20-21(4)11(13)3/h6-8,16,19H,5,9H2,1-4H3
InChIKeyROGVUCCOSHUBFP-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105142748
[1-(2-fluoro-5-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105302872
1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751985
[1-(5-fluoro-2-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105330929
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
N-[1-(3-fluoro-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105181891
1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
CID 43490158
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204509
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351
N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105148851

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105143859) is 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCNC(Cc1c(C)nn(C)c1C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is ROGVUCCOSHUBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-5-19-16(14-8-12(17)6-7-15(14)18)9-13-10(2)20-21(4)11(13)3/h6-8,16,19H,5,9H2,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 293.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105143859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).