3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol

C17H19N3O — CID 64808771

IUPAC3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(Cn1ncc2ccccc21)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-18-17(13-21,15-8-3-2-4-9-15)12-20-16-10-6-5-7-14(16)11-19-20/h2-11,18,21H,12-13H2,1H3
InChIKeyWNUUYVMQWPERNJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.14
Rot. Bonds5

About 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol

3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64808771) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64808771
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(Cn1ncc2ccccc21)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-18-17(13-21,15-8-3-2-4-9-15)12-20-16-10-6-5-7-14(16)11-19-20/h2-11,18,21H,12-13H2,1H3
InChIKeyWNUUYVMQWPERNJ-UHFFFAOYSA-N
XLogP2.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol (CID 64808771) is 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(Cn1ncc2ccccc21)c1ccccc1.
What is the InChIKey of 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is WNUUYVMQWPERNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-17(13-21,15-8-3-2-4-9-15)12-20-16-10-6-5-7-14(16)11-19-20/h2-11,18,21H,12-13H2,1H3.
What are the key properties of 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol?
3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64808771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).