N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine

C12H15FN4 — CID 86713064

IUPACN-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine
SMILESCCNCCc1ccn(-c2ccc(F)cn2)n1
InChIInChI=1S/C12H15FN4/c1-2-14-7-5-11-6-8-17(16-11)12-4-3-10(13)9-15-12/h3-4,6,8-9,14H,2,5,7H2,1H3
InChIKeyQOGDQPHAWXOWFB-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.56
Rot. Bonds5

About N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine

N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine (PubChem CID 86713064) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine
PubChem CID86713064
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC NameN-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine
SMILESCCNCCc1ccn(-c2ccc(F)cn2)n1
InChIInChI=1S/C12H15FN4/c1-2-14-7-5-11-6-8-17(16-11)12-4-3-10(13)9-15-12/h3-4,6,8-9,14H,2,5,7H2,1H3
InChIKeyQOGDQPHAWXOWFB-UHFFFAOYSA-N
XLogP1.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine (CID 86713064) is N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine is CCNCCc1ccn(-c2ccc(F)cn2)n1.
What is the InChIKey of N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine?
The InChIKey is QOGDQPHAWXOWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-2-14-7-5-11-6-8-17(16-11)12-4-3-10(13)9-15-12/h3-4,6,8-9,14H,2,5,7H2,1H3.
What are the key properties of N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine?
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 86713064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).