3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine

C17H19N3 — CID 58088507

IUPAC3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)n1ncc2ccccc21
InChIInChI=1S/C17H19N3/c1-18-12-11-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)13-19-20/h2-10,13,17-18H,11-12H2,1H3
InChIKeyFOSODTIXRXYHCZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.24
Rot. Bonds5

About 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine

3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine (PubChem CID 58088507) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
PubChem CID58088507
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)n1ncc2ccccc21
InChIInChI=1S/C17H19N3/c1-18-12-11-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)13-19-20/h2-10,13,17-18H,11-12H2,1H3
InChIKeyFOSODTIXRXYHCZ-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine (CID 58088507) is 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine is CNCCC(c1ccccc1)n1ncc2ccccc21.
What is the InChIKey of 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine?
The InChIKey is FOSODTIXRXYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-18-12-11-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)13-19-20/h2-10,13,17-18H,11-12H2,1H3.
What are the key properties of 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine?
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58088507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).