N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine

C13H15F2N3 — CID 54881271

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1ccn[nH]1
InChIInChI=1S/C13H15F2N3/c1-8(11-7-10(14)3-4-12(11)15)17-9(2)13-5-6-16-18-13/h3-9,17H,1-2H3,(H,16,18)
InChIKeyPAYMFURPHAPUJO-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.10
Rot. Bonds4

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

N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine (PubChem CID 54881271) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
PubChem CID54881271
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1ccn[nH]1
InChIInChI=1S/C13H15F2N3/c1-8(11-7-10(14)3-4-12(11)15)17-9(2)13-5-6-16-18-13/h3-9,17H,1-2H3,(H,16,18)
InChIKeyPAYMFURPHAPUJO-UHFFFAOYSA-N
XLogP3.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972171
1-(2,4-dichlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881392
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[(2,4-difluorophenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 62223624
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881873
(2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine
CID 82236036
1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 82237939
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
CID 43779230
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine (CID 54881271) is N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine is CC(NC(C)c1cc(F)ccc1F)c1ccn[nH]1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is PAYMFURPHAPUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8(11-7-10(14)3-4-12(11)15)17-9(2)13-5-6-16-18-13/h3-9,17H,1-2H3,(H,16,18).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 251.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 54881271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).