2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine

C17H14F3N3 — CID 83987184

IUPAC2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine
SMILESNCC(c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F3N3/c18-11-3-1-10(2-4-11)16-8-17(23-22-16)14(9-21)13-6-5-12(19)7-15(13)20/h1-8,14H,9,21H2,(H,22,23)
InChIKeyJCBYFZMKOUXZSL-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.58
Rot. Bonds4

About 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine

2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 83987184) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID83987184
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine
SMILESNCC(c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F3N3/c18-11-3-1-10(2-4-11)16-8-17(23-22-16)14(9-21)13-6-5-12(19)7-15(13)20/h1-8,14H,9,21H2,(H,22,23)
InChIKeyJCBYFZMKOUXZSL-UHFFFAOYSA-N
XLogP3.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987309
2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986936
2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986388
2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987634
[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide
CID 157305929
1,1-bis[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine;dihydrochloride
CID 68667830
(2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine
CID 82236036
2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83987177
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
(2,4-difluorophenyl)methanediamine
CID 116939170
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine (CID 83987184) is 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine is NCC(c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is JCBYFZMKOUXZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c18-11-3-1-10(2-4-11)16-8-17(23-22-16)14(9-21)13-6-5-12(19)7-15(13)20/h1-8,14H,9,21H2,(H,22,23).
What are the key properties of 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine?
2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 317.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 83987184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).