1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine

C14H18FN3 — CID 103949479

IUPAC1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cn[nH]c1)c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-3-14(12-6-4-5-7-13(12)15)18-10(2)11-8-16-17-9-11/h4-10,14,18H,3H2,1-2H3,(H,16,17)
InChIKeyAAUPRUUNYWSQNX-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine

1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 103949479) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
PubChem CID103949479
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cn[nH]c1)c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-3-14(12-6-4-5-7-13(12)15)18-10(2)11-8-16-17-9-11/h4-10,14,18H,3H2,1-2H3,(H,16,17)
InChIKeyAAUPRUUNYWSQNX-UHFFFAOYSA-N
XLogP3.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
1-(2-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114167905
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 114158466
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 112676995
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
1-(2-fluorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387884
N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 103905105
N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103905124
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 106209318
1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 112631399

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine (CID 103949479) is 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine is CCC(NC(C)c1cn[nH]c1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is AAUPRUUNYWSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-14(12-6-4-5-7-13(12)15)18-10(2)11-8-16-17-9-11/h4-10,14,18H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine?
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103949479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).