6-nitro-2-propan-2-yl-1,3-dihydroindazole

C10H13N3O2 — CID 175069534

IUPAC6-nitro-2-propan-2-yl-1,3-dihydroindazole
SMILESCC(C)N1Cc2ccc([N+](=O)[O-])cc2N1
InChIInChI=1S/C10H13N3O2/c1-7(2)12-6-8-3-4-9(13(14)15)5-10(8)11-12/h3-5,7,11H,6H2,1-2H3
InChIKeyFZIFLTYPJJLZJV-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.15
Rot. Bonds2

About 6-nitro-2-propan-2-yl-1,3-dihydroindazole

6-nitro-2-propan-2-yl-1,3-dihydroindazole (PubChem CID 175069534) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-nitro-2-propan-2-yl-1,3-dihydroindazole.

Molecular Properties

Compound Name6-nitro-2-propan-2-yl-1,3-dihydroindazole
PubChem CID175069534
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-nitro-2-propan-2-yl-1,3-dihydroindazole
SMILESCC(C)N1Cc2ccc([N+](=O)[O-])cc2N1
InChIInChI=1S/C10H13N3O2/c1-7(2)12-6-8-3-4-9(13(14)15)5-10(8)11-12/h3-5,7,11H,6H2,1-2H3
InChIKeyFZIFLTYPJJLZJV-UHFFFAOYSA-N
XLogP2.15
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.15
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

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1-methyl-6-nitro-2,3-dihydroindazole
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2-(4,4-dimethyl-7-nitro-1,3-dihydroisoquinolin-2-yl)propanal
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Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-propan-2-yl-1,3-dihydroindazole?
The IUPAC name of 6-nitro-2-propan-2-yl-1,3-dihydroindazole (CID 175069534) is 6-nitro-2-propan-2-yl-1,3-dihydroindazole.
What is the SMILES notation for 6-nitro-2-propan-2-yl-1,3-dihydroindazole?
The canonical SMILES for 6-nitro-2-propan-2-yl-1,3-dihydroindazole is CC(C)N1Cc2ccc([N+](=O)[O-])cc2N1.
What is the InChIKey of 6-nitro-2-propan-2-yl-1,3-dihydroindazole?
The InChIKey is FZIFLTYPJJLZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(2)12-6-8-3-4-9(13(14)15)5-10(8)11-12/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 6-nitro-2-propan-2-yl-1,3-dihydroindazole?
6-nitro-2-propan-2-yl-1,3-dihydroindazole has a molecular weight of 207.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-propan-2-yl-1,3-dihydroindazole is sourced from PubChem (CID 175069534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).