N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine

C13H16FN3 — CID 67991726

IUPACN-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine
SMILESCCNCCn1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN3/c1-2-15-8-10-17-9-7-13(16-17)11-3-5-12(14)6-4-11/h3-7,9,15H,2,8,10H2,1H3
InChIKeyJBVHTYPJZVLKEM-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.30
Rot. Bonds5

About N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine

N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine (PubChem CID 67991726) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine
PubChem CID67991726
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine
SMILESCCNCCn1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN3/c1-2-15-8-10-17-9-7-13(16-17)11-3-5-12(14)6-4-11/h3-7,9,15H,2,8,10H2,1H3
InChIKeyJBVHTYPJZVLKEM-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine?
The IUPAC name of N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine (CID 67991726) is N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine is CCNCCn1ccc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine?
The InChIKey is JBVHTYPJZVLKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-15-8-10-17-9-7-13(16-17)11-3-5-12(14)6-4-11/h3-7,9,15H,2,8,10H2,1H3.
What are the key properties of N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine?
N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 67991726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).