N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine

C24H24FN3 — CID 59251092

IUPACN-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine
SMILESCCNCCC(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H24FN3/c1-2-26-15-14-23(18-6-4-3-5-7-18)19-8-13-24-20(16-19)17-27-28(24)22-11-9-21(25)10-12-22/h3-13,16-17,23,26H,2,14-15H2,1H3
InChIKeyXZUDZQNFYMKWDE-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.30
Rot. Bonds7

About N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine

N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine (PubChem CID 59251092) has the molecular formula C24H24FN3 and a molecular weight of 373.48 g/mol. Its IUPAC name is N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine
PubChem CID59251092
Molecular FormulaC24H24FN3
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC NameN-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine
SMILESCCNCCC(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H24FN3/c1-2-26-15-14-23(18-6-4-3-5-7-18)19-8-13-24-20(16-19)17-27-28(24)22-11-9-21(25)10-12-22/h3-13,16-17,23,26H,2,14-15H2,1H3
InChIKeyXZUDZQNFYMKWDE-UHFFFAOYSA-N
XLogP5.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.30
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-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine?
The IUPAC name of N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine (CID 59251092) is N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine is CCNCCC(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine?
The InChIKey is XZUDZQNFYMKWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3/c1-2-26-15-14-23(18-6-4-3-5-7-18)19-8-13-24-20(16-19)17-27-28(24)22-11-9-21(25)10-12-22/h3-13,16-17,23,26H,2,14-15H2,1H3.
What are the key properties of N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine?
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine has a molecular weight of 373.48 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 59251092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).