2-(cyclopropylmethyl)-6-nitroindazole

C11H11N3O2 — CID 59225440

IUPAC2-(cyclopropylmethyl)-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cn(CC3CC3)nc2c1
InChIInChI=1S/C11H11N3O2/c15-14(16)10-4-3-9-7-13(6-8-1-2-8)12-11(9)5-10/h3-5,7-8H,1-2,6H2
InChIKeyNRZZDKRZNLNZSM-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.35
Rot. Bonds3

About 2-(cyclopropylmethyl)-6-nitroindazole

2-(cyclopropylmethyl)-6-nitroindazole (PubChem CID 59225440) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-nitroindazole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-nitroindazole
PubChem CID59225440
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(cyclopropylmethyl)-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cn(CC3CC3)nc2c1
InChIInChI=1S/C11H11N3O2/c15-14(16)10-4-3-9-7-13(6-8-1-2-8)12-11(9)5-10/h3-5,7-8H,1-2,6H2
InChIKeyNRZZDKRZNLNZSM-UHFFFAOYSA-N
XLogP2.35
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-nitroindazole?
The IUPAC name of 2-(cyclopropylmethyl)-6-nitroindazole (CID 59225440) is 2-(cyclopropylmethyl)-6-nitroindazole.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-nitroindazole?
The canonical SMILES for 2-(cyclopropylmethyl)-6-nitroindazole is O=[N+]([O-])c1ccc2cn(CC3CC3)nc2c1.
What is the InChIKey of 2-(cyclopropylmethyl)-6-nitroindazole?
The InChIKey is NRZZDKRZNLNZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-14(16)10-4-3-9-7-13(6-8-1-2-8)12-11(9)5-10/h3-5,7-8H,1-2,6H2.
What are the key properties of 2-(cyclopropylmethyl)-6-nitroindazole?
2-(cyclopropylmethyl)-6-nitroindazole has a molecular weight of 217.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-nitroindazole is sourced from PubChem (CID 59225440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).