N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine

C17H22FN3 — CID 64799852

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H22FN3/c18-17-8-4-1-5-14(17)9-11-19-13-15-10-12-21(20-15)16-6-2-3-7-16/h1,4-5,8,10,12,16,19H,2-3,6-7,9,11,13H2
InChIKeyXEALHXDIBRDOBL-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.47
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 64799852) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID64799852
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H22FN3/c18-17-8-4-1-5-14(17)9-11-19-13-15-10-12-21(20-15)16-6-2-3-7-16/h1,4-5,8,10,12,16,19H,2-3,6-7,9,11,13H2
InChIKeyXEALHXDIBRDOBL-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine (CID 64799852) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is XEALHXDIBRDOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c18-17-8-4-1-5-14(17)9-11-19-13-15-10-12-21(20-15)16-6-2-3-7-16/h1,4-5,8,10,12,16,19H,2-3,6-7,9,11,13H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 64799852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).