4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine

C16H13F2N3 — CID 59797371

IUPAC4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine
SMILESCn1nc(/C=C/c2cccc(F)c2)c2c(F)c(N)ccc21
InChIInChI=1S/C16H13F2N3/c1-21-14-8-6-12(19)16(18)15(14)13(20-21)7-5-10-3-2-4-11(17)9-10/h2-9H,19H2,1H3/b7-5+
InChIKeyQBDYSVZQNXTHLO-FNORWQNLSA-N
MW285.30 g/mol
LogP3.60
Rot. Bonds2

About 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine

4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine (PubChem CID 59797371) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine.

Molecular Properties

Compound Name4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine
PubChem CID59797371
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine
SMILESCn1nc(/C=C/c2cccc(F)c2)c2c(F)c(N)ccc21
InChIInChI=1S/C16H13F2N3/c1-21-14-8-6-12(19)16(18)15(14)13(20-21)7-5-10-3-2-4-11(17)9-10/h2-9H,19H2,1H3/b7-5+
InChIKeyQBDYSVZQNXTHLO-FNORWQNLSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine?
The IUPAC name of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine (CID 59797371) is 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine.
What is the SMILES notation for 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine?
The canonical SMILES for 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine is Cn1nc(/C=C/c2cccc(F)c2)c2c(F)c(N)ccc21.
What is the InChIKey of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine?
The InChIKey is QBDYSVZQNXTHLO-FNORWQNLSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-21-14-8-6-12(19)16(18)15(14)13(20-21)7-5-10-3-2-4-11(17)9-10/h2-9H,19H2,1H3/b7-5+.
What are the key properties of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine?
4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine has a molecular weight of 285.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine is sourced from PubChem (CID 59797371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).