2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine

C12H14FN3 — CID 80693727

IUPAC2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESFCCNCc1ccccc1-n1cccn1
InChIInChI=1S/C12H14FN3/c13-6-8-14-10-11-4-1-2-5-12(11)16-9-3-7-15-16/h1-5,7,9,14H,6,8,10H2
InChIKeyCQMMVHIHZVNYMV-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.93
Rot. Bonds5

About 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine

2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 80693727) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID80693727
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESFCCNCc1ccccc1-n1cccn1
InChIInChI=1S/C12H14FN3/c13-6-8-14-10-11-4-1-2-5-12(11)16-9-3-7-15-16/h1-5,7,9,14H,6,8,10H2
InChIKeyCQMMVHIHZVNYMV-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.93
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-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 61165939
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 61165719
1-(2-pyrazol-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 61167894
1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one
CID 61166922
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]phenol
CID 47067947
N-[(5-bromothiophen-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167302
2-(2-pyrazol-1-ylphenyl)ethanamine
CID 63816747
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine (CID 80693727) is 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine is FCCNCc1ccccc1-n1cccn1.
What is the InChIKey of 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is CQMMVHIHZVNYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-6-8-14-10-11-4-1-2-5-12(11)16-9-3-7-15-16/h1-5,7,9,14H,6,8,10H2.
What are the key properties of 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine?
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 80693727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).