1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

C14H17F2N3 — CID 79523145

IUPAC1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3/c1-3-17-13(7-10-8-18-19(2)9-10)14-11(15)5-4-6-12(14)16/h4-6,8-9,13,17H,3,7H2,1-2H3
InChIKeyDFHPIPYUEZQKAN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.59
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 79523145) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID79523145
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3/c1-3-17-13(7-10-8-18-19(2)9-10)14-11(15)5-4-6-12(14)16/h4-6,8-9,13,17H,3,7H2,1-2H3
InChIKeyDFHPIPYUEZQKAN-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821272
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 63556140
N-[1-(2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 79517743
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63024203
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
N-ethyl-2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115821262
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115
1-(2,6-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182160
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 103040265
N-ethyl-1-(4-ethylsulfanylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 106849241
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 66426046

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 79523145) is 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(C)c1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is DFHPIPYUEZQKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-17-13(7-10-8-18-19(2)9-10)14-11(15)5-4-6-12(14)16/h4-6,8-9,13,17H,3,7H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 79523145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).