2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

C18H18FN3 — CID 43824526

IUPAC2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESFc1ccccc1CCNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H18FN3/c19-18-9-5-4-6-16(18)10-11-20-12-15-13-21-22(14-15)17-7-2-1-3-8-17/h1-9,13-14,20H,10-12H2
InChIKeyNKMHHOCYSKCIMB-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.34
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43824526) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
PubChem CID43824526
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESFc1ccccc1CCNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H18FN3/c19-18-9-5-4-6-16(18)10-11-20-12-15-13-21-22(14-15)17-7-2-1-3-8-17/h1-9,13-14,20H,10-12H2
InChIKeyNKMHHOCYSKCIMB-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 112839320
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829349
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111266154
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778
2-butoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 61169682
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
2,2-dimethyl-4-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 122126840
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 18288048
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
3-methylsulfinyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 115711557

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (CID 43824526) is 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is Fc1ccccc1CCNCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is NKMHHOCYSKCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c19-18-9-5-4-6-16(18)10-11-20-12-15-13-21-22(14-15)17-7-2-1-3-8-17/h1-9,13-14,20H,10-12H2.
What are the key properties of 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 295.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43824526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).