N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine

C12H14FN3 — CID 43314015

IUPACN-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCCNCc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C12H14FN3/c1-2-14-9-10-8-11(13)4-5-12(10)16-7-3-6-15-16/h3-8,14H,2,9H2,1H3
InChIKeyVXSXHMADEQURQI-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.12
Rot. Bonds4

About N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine

N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 43314015) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID43314015
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCCNCc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C12H14FN3/c1-2-14-9-10-8-11(13)4-5-12(10)16-7-3-6-15-16/h3-8,14H,2,9H2,1H3
InChIKeyVXSXHMADEQURQI-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine
CID 131922365
3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine
CID 170865603
N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 114854091
N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62487619
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 61347111
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 156608964
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 62489506
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 45226568

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine (CID 43314015) is N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine is CCNCc1cc(F)ccc1-n1cccn1.
What is the InChIKey of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is VXSXHMADEQURQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-2-14-9-10-8-11(13)4-5-12(10)16-7-3-6-15-16/h3-8,14H,2,9H2,1H3.
What are the key properties of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine?
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 43314015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).