N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine

C13H16FN3 — CID 54850928

IUPACN-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(-c2ccccc2F)n[nH]c1C
InChIInChI=1S/C13H16FN3/c1-3-15-8-11-9(2)16-17-13(11)10-6-4-5-7-12(10)14/h4-7,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyZFLAWJINJHUJQI-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.63
Rot. Bonds4

About N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine

N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 54850928) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID54850928
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(-c2ccccc2F)n[nH]c1C
InChIInChI=1S/C13H16FN3/c1-3-15-8-11-9(2)16-17-13(11)10-6-4-5-7-12(10)14/h4-7,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyZFLAWJINJHUJQI-UHFFFAOYSA-N
XLogP2.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine (CID 54850928) is N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine is CCNCc1c(-c2ccccc2F)n[nH]c1C.
What is the InChIKey of N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is ZFLAWJINJHUJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-15-8-11-9(2)16-17-13(11)10-6-4-5-7-12(10)14/h4-7,15H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine?
N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 54850928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).