3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine

C19H23N3O — CID 12555

IUPAC3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKeyCNBGNNVCVSKAQZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.42
Rot. Bonds7

About 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine

3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine (PubChem CID 12555) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
PubChem CID12555
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKeyCNBGNNVCVSKAQZ-UHFFFAOYSA-N
XLogP3.42
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 65464
Bendazac
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Imp-1088
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CID 23662369
1-Benzyl-3-benzyloxy-5-nitro-indazole
CID 386338
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
Methyl 2-[3-(3-ethoxyphenyl)indazol-1-yl]acetate
CID 73505630
Methyl 2-[3-(3-phenoxyphenyl)indazol-1-yl]acetate
CID 73505832
Methyl 2-[3-[3-(2-phenylethoxy)phenyl]indazol-1-yl]acetate
CID 73506046
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CID 73506047

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine (CID 12555) is 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine is CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is CNBGNNVCVSKAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3.
What are the key properties of 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine?
3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 309.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 12555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).