N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine

C15H18FN3 — CID 106533150

IUPACN-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C15H18FN3/c1-2-17-10-11-7-13(16)9-14(8-11)19-6-5-15(18-19)12-3-4-12/h5-9,12,17H,2-4,10H2,1H3
InChIKeyALOCTVVILARPFY-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.00
Rot. Bonds5

About N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine

N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine (PubChem CID 106533150) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
PubChem CID106533150
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C15H18FN3/c1-2-17-10-11-7-13(16)9-14(8-11)19-6-5-15(18-19)12-3-4-12/h5-9,12,17H,2-4,10H2,1H3
InChIKeyALOCTVVILARPFY-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine (CID 106533150) is N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)cc(-n2ccc(C3CC3)n2)c1.
What is the InChIKey of N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is ALOCTVVILARPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-17-10-11-7-13(16)9-14(8-11)19-6-5-15(18-19)12-3-4-12/h5-9,12,17H,2-4,10H2,1H3.
What are the key properties of N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine?
N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 259.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 106533150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).