2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

C11H11F2N3 — CID 60972171

IUPAC2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCC(Nc1cc(F)ccc1F)c1ccn[nH]1
InChIInChI=1S/C11H11F2N3/c1-7(10-4-5-14-16-10)15-11-6-8(12)2-3-9(11)13/h2-7,15H,1H3,(H,14,16)
InChIKeyODCPLYRCZDKGTM-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.86
Rot. Bonds3

About 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (PubChem CID 60972171) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
PubChem CID60972171
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCC(Nc1cc(F)ccc1F)c1ccn[nH]1
InChIInChI=1S/C11H11F2N3/c1-7(10-4-5-14-16-10)15-11-6-8(12)2-3-9(11)13/h2-7,15H,1H3,(H,14,16)
InChIKeyODCPLYRCZDKGTM-UHFFFAOYSA-N
XLogP2.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881271
2-fluoro-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972679
5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60971531
3-fluoro-5-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 79055182
2-bromo-4,6-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881187
N-[(2,4-difluorophenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 62223624
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
3-fluoro-4-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile
CID 54881919
2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60973136
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The IUPAC name of 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (CID 60972171) is 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The canonical SMILES for 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is CC(Nc1cc(F)ccc1F)c1ccn[nH]1.
What is the InChIKey of 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The InChIKey is ODCPLYRCZDKGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-7(10-4-5-14-16-10)15-11-6-8(12)2-3-9(11)13/h2-7,15H,1H3,(H,14,16).
What are the key properties of 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline has a molecular weight of 223.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 60972171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).