1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

C13H16FN3 — CID 56828853

IUPAC1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-11(12-4-2-5-13(14)10-12)15-7-9-17-8-3-6-16-17/h2-6,8,10-11,15H,7,9H2,1H3
InChIKeyGSXDVPRURKKHAQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.37
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 56828853) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID56828853
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-11(12-4-2-5-13(14)10-12)15-7-9-17-8-3-6-16-17/h2-6,8,10-11,15H,7,9H2,1H3
InChIKeyGSXDVPRURKKHAQ-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
CID 54951683
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 103901299
(1R)-1-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81365719
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 83117451
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
1-(3-bromo-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459542
(1S)-1-(3-chloro-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 95612012

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 56828853) is 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is CC(NCCn1cccn1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is GSXDVPRURKKHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-11(12-4-2-5-13(14)10-12)15-7-9-17-8-3-6-16-17/h2-6,8,10-11,15H,7,9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 56828853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).