5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole

C23H30N2O2 — CID 142348409

IUPAC5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole
SMILESCCC(c1ccccc1)n1ncc2cc(OCCCC(C)(C)OC)ccc21
InChIInChI=1S/C23H30N2O2/c1-5-21(18-10-7-6-8-11-18)25-22-13-12-20(16-19(22)17-24-25)27-15-9-14-23(2,3)26-4/h6-8,10-13,16-17,21H,5,9,14-15H2,1-4H3
InChIKeyOFZIWHQTXRDQFZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.62
Rot. Bonds9

About 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole

5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole (PubChem CID 142348409) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole.

Molecular Properties

Compound Name5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole
PubChem CID142348409
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole
SMILESCCC(c1ccccc1)n1ncc2cc(OCCCC(C)(C)OC)ccc21
InChIInChI=1S/C23H30N2O2/c1-5-21(18-10-7-6-8-11-18)25-22-13-12-20(16-19(22)17-24-25)27-15-9-14-23(2,3)26-4/h6-8,10-13,16-17,21H,5,9,14-15H2,1-4H3
InChIKeyOFZIWHQTXRDQFZ-UHFFFAOYSA-N
XLogP5.62
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.62
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

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
2-[3-(3-Methoxyphenyl)-1-indazolyl]acetic acid methyl ester
CID 49835877
N-Methyl-5-benzyloxyindole
CID 259196
2,2,2-Trifluoro-N-[(1r,2s)-1-{[1-(4-Fluorophenyl)-1h-Indazol-5-Yl]oxy}-1-Phenylpropan-2-Yl]acetamide
CID 25013322
Methyl 2-[3-(2-fluoro-5-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506474
Methyl 2-[3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]indazol-1-yl]acetate
CID 73507350
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 25013490
Methyl 2-[3-(2-fluoro-3-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506263
Methyl 2-[3-(3-ethoxyphenyl)indazol-1-yl]acetate
CID 73505630
Methyl 2-[3-(3-phenoxyphenyl)indazol-1-yl]acetate
CID 73505832

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole?
The IUPAC name of 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole (CID 142348409) is 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole.
What is the SMILES notation for 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole?
The canonical SMILES for 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole is CCC(c1ccccc1)n1ncc2cc(OCCCC(C)(C)OC)ccc21.
What is the InChIKey of 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole?
The InChIKey is OFZIWHQTXRDQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-21(18-10-7-6-8-11-18)25-22-13-12-20(16-19(22)17-24-25)27-15-9-14-23(2,3)26-4/h6-8,10-13,16-17,21H,5,9,14-15H2,1-4H3.
What are the key properties of 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole?
5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole has a molecular weight of 366.51 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole is sourced from PubChem (CID 142348409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).