2-benzyl-3-methoxy-5-nitroindazole

C15H13N3O3 — CID 71456652

IUPAC2-benzyl-3-methoxy-5-nitroindazole
SMILESCOc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1
InChIInChI=1S/C15H13N3O3/c1-21-15-13-9-12(18(19)20)7-8-14(13)16-17(15)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCXQKOKHKWHQSOQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.00
Rot. Bonds4

About 2-benzyl-3-methoxy-5-nitroindazole

2-benzyl-3-methoxy-5-nitroindazole (PubChem CID 71456652) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-benzyl-3-methoxy-5-nitroindazole.

Molecular Properties

Compound Name2-benzyl-3-methoxy-5-nitroindazole
PubChem CID71456652
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-benzyl-3-methoxy-5-nitroindazole
SMILESCOc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1
InChIInChI=1S/C15H13N3O3/c1-21-15-13-9-12(18(19)20)7-8-14(13)16-17(15)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCXQKOKHKWHQSOQ-UHFFFAOYSA-N
XLogP3.00
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-benzyl-3-methoxy-5-nitroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
2-(4-methoxyphenyl)-6-nitro-2H-indazole
CID 622831
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
1-Benzyl-3-benzyloxy-5-nitro-indazole
CID 386338
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293
1-Benzyl-3-(naphthalen-2-ylmethoxy)-5-nitroindazole
CID 51357044
5-Nitro-3-pentoxy-1-pentylindazole
CID 51357316
1-Methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole
CID 51357318
3-(Naphthalen-1-ylmethoxy)-5-nitro-1-(2-pyrrolidin-1-ylethyl)indazole
CID 51357595
3-[(4-Methoxyphenyl)methoxy]-5-nitro-1-pentylindazole
CID 51357600
3-(Naphthalen-2-ylmethoxy)-5-nitro-1-propylindazole
CID 51357867

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methoxy-5-nitroindazole?
The IUPAC name of 2-benzyl-3-methoxy-5-nitroindazole (CID 71456652) is 2-benzyl-3-methoxy-5-nitroindazole.
What is the SMILES notation for 2-benzyl-3-methoxy-5-nitroindazole?
The canonical SMILES for 2-benzyl-3-methoxy-5-nitroindazole is COc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methoxy-5-nitroindazole?
The InChIKey is CXQKOKHKWHQSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-15-13-9-12(18(19)20)7-8-14(13)16-17(15)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 2-benzyl-3-methoxy-5-nitroindazole?
2-benzyl-3-methoxy-5-nitroindazole has a molecular weight of 283.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methoxy-5-nitroindazole is sourced from PubChem (CID 71456652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).