3-(4-methoxyphenyl)-5-nitro-1H-indazole

C14H11N3O3 — CID 22479854

IUPAC3-(4-methoxyphenyl)-5-nitro-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C14H11N3O3/c1-20-11-5-2-9(3-6-11)14-12-8-10(17(18)19)4-7-13(12)15-16-14/h2-8H,1H3,(H,15,16)
InChIKeySAADTSDBSVFUSH-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.15
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-nitro-1H-indazole

3-(4-methoxyphenyl)-5-nitro-1H-indazole (PubChem CID 22479854) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-nitro-1H-indazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-nitro-1H-indazole
PubChem CID22479854
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-(4-methoxyphenyl)-5-nitro-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C14H11N3O3/c1-20-11-5-2-9(3-6-11)14-12-8-10(17(18)19)4-7-13(12)15-16-14/h2-8H,1H3,(H,15,16)
InChIKeySAADTSDBSVFUSH-UHFFFAOYSA-N
XLogP3.15
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
3-(naphthalen-1-ylmethoxy)-5-nitro-1H-indazole
CID 141700628
3-(4-methoxyphenyl)-5-phenyl-1H-pyrazole
CID 290611
2-(3-(4-Methoxyphenyl)-1H-pyrazol-5-YL)aniline
CID 54852112
3-[(4-methoxyphenyl)methoxy]-5-nitro-1H-indazole
CID 141700630
3-[(4-methoxyphenyl)methoxy]-1H-indazole
CID 154487474
3-(4-methoxyphenyl)-1H-indazole
CID 9855970
4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 44547368
5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazole
CID 46887957
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 46887958
3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 46887960

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-nitro-1H-indazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-nitro-1H-indazole (CID 22479854) is 3-(4-methoxyphenyl)-5-nitro-1H-indazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-nitro-1H-indazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-nitro-1H-indazole is COc1ccc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-nitro-1H-indazole?
The InChIKey is SAADTSDBSVFUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-11-5-2-9(3-6-11)14-12-8-10(17(18)19)4-7-13(12)15-16-14/h2-8H,1H3,(H,15,16).
What are the key properties of 3-(4-methoxyphenyl)-5-nitro-1H-indazole?
3-(4-methoxyphenyl)-5-nitro-1H-indazole has a molecular weight of 269.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-nitro-1H-indazole is sourced from PubChem (CID 22479854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).