4-(3,4,5-trimethoxyphenyl)-1H-indazole

C16H16N2O3 — CID 157013232

IUPAC4-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2cccc3[nH]ncc23)cc(OC)c1OC
InChIInChI=1S/C16H16N2O3/c1-19-14-7-10(8-15(20-2)16(14)21-3)11-5-4-6-13-12(11)9-17-18-13/h4-9H,1-3H3,(H,17,18)
InChIKeyNJIGXVLHXFYYSS-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.26
Rot. Bonds4

About 4-(3,4,5-trimethoxyphenyl)-1H-indazole

4-(3,4,5-trimethoxyphenyl)-1H-indazole (PubChem CID 157013232) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)-1H-indazole
PubChem CID157013232
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2cccc3[nH]ncc23)cc(OC)c1OC
InChIInChI=1S/C16H16N2O3/c1-19-14-7-10(8-15(20-2)16(14)21-3)11-5-4-6-13-12(11)9-17-18-13/h4-9H,1-3H3,(H,17,18)
InChIKeyNJIGXVLHXFYYSS-UHFFFAOYSA-N
XLogP3.26
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1H-indazole?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1H-indazole (CID 157013232) is 4-(3,4,5-trimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)-1H-indazole?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)-1H-indazole is COc1cc(-c2cccc3[nH]ncc23)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)-1H-indazole?
The InChIKey is NJIGXVLHXFYYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-19-14-7-10(8-15(20-2)16(14)21-3)11-5-4-6-13-12(11)9-17-18-13/h4-9H,1-3H3,(H,17,18).
What are the key properties of 4-(3,4,5-trimethoxyphenyl)-1H-indazole?
4-(3,4,5-trimethoxyphenyl)-1H-indazole has a molecular weight of 284.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 157013232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).