1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol

C14H21N3O — CID 79087674

IUPAC1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
SMILESCCn1nc(CC(O)CN(C)C)c2ccccc21
InChIInChI=1S/C14H21N3O/c1-4-17-14-8-6-5-7-12(14)13(15-17)9-11(18)10-16(2)3/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyZVEHBJYVEYODJM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.52
Rot. Bonds5

About 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol

1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol (PubChem CID 79087674) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
PubChem CID79087674
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
SMILESCCn1nc(CC(O)CN(C)C)c2ccccc21
InChIInChI=1S/C14H21N3O/c1-4-17-14-8-6-5-7-12(14)13(15-17)9-11(18)10-16(2)3/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyZVEHBJYVEYODJM-UHFFFAOYSA-N
XLogP1.52
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol (CID 79087674) is 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol is CCn1nc(CC(O)CN(C)C)c2ccccc21.
What is the InChIKey of 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol?
The InChIKey is ZVEHBJYVEYODJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-17-14-8-6-5-7-12(14)13(15-17)9-11(18)10-16(2)3/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol?
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol has a molecular weight of 247.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol is sourced from PubChem (CID 79087674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).