2-methyl-5-nitro-3-propan-2-yloxyindazole

C11H13N3O3 — CID 71460349

IUPAC2-methyl-5-nitro-3-propan-2-yloxyindazole
SMILESCC(C)Oc1c2cc([N+](=O)[O-])ccc2nn1C
InChIInChI=1S/C11H13N3O3/c1-7(2)17-11-9-6-8(14(15)16)4-5-10(9)12-13(11)3/h4-7H,1-3H3
InChIKeyMYAULEBFBMHGQO-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-5-nitro-3-propan-2-yloxyindazole

2-methyl-5-nitro-3-propan-2-yloxyindazole (PubChem CID 71460349) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-methyl-5-nitro-3-propan-2-yloxyindazole.

Molecular Properties

Compound Name2-methyl-5-nitro-3-propan-2-yloxyindazole
PubChem CID71460349
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-methyl-5-nitro-3-propan-2-yloxyindazole
SMILESCC(C)Oc1c2cc([N+](=O)[O-])ccc2nn1C
InChIInChI=1S/C11H13N3O3/c1-7(2)17-11-9-6-8(14(15)16)4-5-10(9)12-13(11)3/h4-7H,1-3H3
InChIKeyMYAULEBFBMHGQO-UHFFFAOYSA-N
XLogP2.27
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.27
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-methyl-5-nitro-3-propan-2-yloxyindazole 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 2-methyl-5-nitro-3-propan-2-yloxyindazole?
The IUPAC name of 2-methyl-5-nitro-3-propan-2-yloxyindazole (CID 71460349) is 2-methyl-5-nitro-3-propan-2-yloxyindazole.
What is the SMILES notation for 2-methyl-5-nitro-3-propan-2-yloxyindazole?
The canonical SMILES for 2-methyl-5-nitro-3-propan-2-yloxyindazole is CC(C)Oc1c2cc([N+](=O)[O-])ccc2nn1C.
What is the InChIKey of 2-methyl-5-nitro-3-propan-2-yloxyindazole?
The InChIKey is MYAULEBFBMHGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7(2)17-11-9-6-8(14(15)16)4-5-10(9)12-13(11)3/h4-7H,1-3H3.
What are the key properties of 2-methyl-5-nitro-3-propan-2-yloxyindazole?
2-methyl-5-nitro-3-propan-2-yloxyindazole has a molecular weight of 235.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-3-propan-2-yloxyindazole is sourced from PubChem (CID 71460349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).