N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine

C13H16FN3 — CID 43275370

IUPACN-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C13H16FN3/c1-2-6-15-10-11-4-5-13(12(14)9-11)17-8-3-7-16-17/h3-5,7-9,15H,2,6,10H2,1H3
InChIKeyHMXAJJMNEXXOOI-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.51
Rot. Bonds5

About N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine

N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine (PubChem CID 43275370) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine
PubChem CID43275370
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C13H16FN3/c1-2-6-15-10-11-4-5-13(12(14)9-11)17-8-3-7-16-17/h3-5,7-9,15H,2,6,10H2,1H3
InChIKeyHMXAJJMNEXXOOI-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 117295562
N-[(3-chloro-4-pyrazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 81150264
N-[[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 81447351
1-[2-fluoro-4-(propylaminomethyl)phenyl]-1,4-diazepan-5-one
CID 63004486
CID 171637673
CID 171637673
N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80635268
N-[[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281323
N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine
CID 63377528
N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine
CID 102626421
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717
N-[[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 54909733

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine (CID 43275370) is N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine is CCCNCc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine?
The InChIKey is HMXAJJMNEXXOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-6-15-10-11-4-5-13(12(14)9-11)17-8-3-7-16-17/h3-5,7-9,15H,2,6,10H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine?
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine has a molecular weight of 233.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43275370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).