5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine

C16H15FN4 — CID 118100573

IUPAC5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine
SMILESCC(c1cccc(-c2ccc(F)nc2)c1)c1cc(N)n[nH]1
InChIInChI=1S/C16H15FN4/c1-10(14-8-16(18)21-20-14)11-3-2-4-12(7-11)13-5-6-15(17)19-9-13/h2-10H,1H3,(H3,18,20,21)
InChIKeySPMJIROHERIITK-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.34
Rot. Bonds3

About 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine

5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine (PubChem CID 118100573) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine
PubChem CID118100573
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine
SMILESCC(c1cccc(-c2ccc(F)nc2)c1)c1cc(N)n[nH]1
InChIInChI=1S/C16H15FN4/c1-10(14-8-16(18)21-20-14)11-3-2-4-12(7-11)13-5-6-15(17)19-9-13/h2-10H,1H3,(H3,18,20,21)
InChIKeySPMJIROHERIITK-UHFFFAOYSA-N
XLogP3.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine (CID 118100573) is 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine is CC(c1cccc(-c2ccc(F)nc2)c1)c1cc(N)n[nH]1.
What is the InChIKey of 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine?
The InChIKey is SPMJIROHERIITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-10(14-8-16(18)21-20-14)11-3-2-4-12(7-11)13-5-6-15(17)19-9-13/h2-10H,1H3,(H3,18,20,21).
What are the key properties of 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine?
5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine has a molecular weight of 282.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118100573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).