1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine

C14H17F2N3 — CID 54881680

IUPAC1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NC(C)c1ccn[nH]1
InChIInChI=1S/C14H17F2N3/c1-9(18-10(2)14-6-7-17-19-14)8-11-12(15)4-3-5-13(11)16/h3-7,9-10,18H,8H2,1-2H3,(H,17,19)
InChIKeyONWRGTVWSZEFFT-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.97
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine

1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine (PubChem CID 54881680) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
PubChem CID54881680
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NC(C)c1ccn[nH]1
InChIInChI=1S/C14H17F2N3/c1-9(18-10(2)14-6-7-17-19-14)8-11-12(15)4-3-5-13(11)16/h3-7,9-10,18H,8H2,1-2H3,(H,17,19)
InChIKeyONWRGTVWSZEFFT-UHFFFAOYSA-N
XLogP2.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881795
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine
CID 60972648
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269
1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881889
N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881271
(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
CID 79253582
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine
CID 115900838
(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
CID 107862495
(1R)-1-(3-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81371761
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine (CID 54881680) is 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine is CC(Cc1c(F)cccc1F)NC(C)c1ccn[nH]1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine?
The InChIKey is ONWRGTVWSZEFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9(18-10(2)14-6-7-17-19-14)8-11-12(15)4-3-5-13(11)16/h3-7,9-10,18H,8H2,1-2H3,(H,17,19).
What are the key properties of 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine?
1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 54881680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).