3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine

C14H12N4O3 — CID 39219484

IUPAC3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine
SMILESCOc1ccc(-c2n[nH]c3cccc(N)c23)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O3/c1-21-8-5-6-9(12(7-8)18(19)20)14-13-10(15)3-2-4-11(13)16-17-14/h2-7H,15H2,1H3,(H,16,17)
InChIKeyTVRISCXYCFJADV-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.73
Rot. Bonds3

About 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine

3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine (PubChem CID 39219484) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine
PubChem CID39219484
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine
SMILESCOc1ccc(-c2n[nH]c3cccc(N)c23)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O3/c1-21-8-5-6-9(12(7-8)18(19)20)14-13-10(15)3-2-4-11(13)16-17-14/h2-7H,15H2,1H3,(H,16,17)
InChIKeyTVRISCXYCFJADV-UHFFFAOYSA-N
XLogP2.73
TPSA107.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazol-4-amine
CID 39220118
methyl 2-[5-methoxy-2-(4-methoxy-2-nitrophenyl)phenyl]acetate
CID 164598415
3-(2,5-dichlorophenyl)-1H-indazol-4-amine
CID 39219303
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
4-(4-methoxyphenyl)-1H-indazol-3-amine
CID 118046988
3-(4-methoxy-2-nitrophenoxy)aniline
CID 54908684
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
1-N-[(3-methoxyphenyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749024
[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 55416792
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
3-(4-methoxyphenyl)-5-(2-nitrophenyl)-1H-pyrazole
CID 71743082

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine?
The IUPAC name of 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine (CID 39219484) is 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine.
What is the SMILES notation for 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine?
The canonical SMILES for 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine is COc1ccc(-c2n[nH]c3cccc(N)c23)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine?
The InChIKey is TVRISCXYCFJADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-21-8-5-6-9(12(7-8)18(19)20)14-13-10(15)3-2-4-11(13)16-17-14/h2-7H,15H2,1H3,(H,16,17).
What are the key properties of 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine?
3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine has a molecular weight of 284.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine is sourced from PubChem (CID 39219484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).