1-methyl-5-nitro-3-(2-phenylethoxy)indazole

C16H15N3O3 — CID 71449538

IUPAC1-methyl-5-nitro-3-(2-phenylethoxy)indazole
SMILESCn1nc(OCCc2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H15N3O3/c1-18-15-8-7-13(19(20)21)11-14(15)16(17-18)22-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyMPUIKYDSLAKMGW-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.10
Rot. Bonds5

About 1-methyl-5-nitro-3-(2-phenylethoxy)indazole

1-methyl-5-nitro-3-(2-phenylethoxy)indazole (PubChem CID 71449538) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-methyl-5-nitro-3-(2-phenylethoxy)indazole.

Molecular Properties

Compound Name1-methyl-5-nitro-3-(2-phenylethoxy)indazole
PubChem CID71449538
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-methyl-5-nitro-3-(2-phenylethoxy)indazole
SMILESCn1nc(OCCc2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H15N3O3/c1-18-15-8-7-13(19(20)21)11-14(15)16(17-18)22-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyMPUIKYDSLAKMGW-UHFFFAOYSA-N
XLogP3.10
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.10
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 1-methyl-5-nitro-3-(2-phenylethoxy)indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-3-(2-phenylethoxy)indazole?
The IUPAC name of 1-methyl-5-nitro-3-(2-phenylethoxy)indazole (CID 71449538) is 1-methyl-5-nitro-3-(2-phenylethoxy)indazole.
What is the SMILES notation for 1-methyl-5-nitro-3-(2-phenylethoxy)indazole?
The canonical SMILES for 1-methyl-5-nitro-3-(2-phenylethoxy)indazole is Cn1nc(OCCc2ccccc2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-methyl-5-nitro-3-(2-phenylethoxy)indazole?
The InChIKey is MPUIKYDSLAKMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-18-15-8-7-13(19(20)21)11-14(15)16(17-18)22-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-methyl-5-nitro-3-(2-phenylethoxy)indazole?
1-methyl-5-nitro-3-(2-phenylethoxy)indazole has a molecular weight of 297.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-3-(2-phenylethoxy)indazole is sourced from PubChem (CID 71449538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).