6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole

C11H9N5O2 — CID 71681987

IUPAC6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole
SMILESCn1cc(-c2cc3[nH]ncc3cc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H9N5O2/c1-15-6-8(5-13-15)9-3-10-7(4-12-14-10)2-11(9)16(17)18/h2-6H,1H3,(H,12,14)
InChIKeyCOYNYGUXSPJBCF-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.87
Rot. Bonds2

About 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole

6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole (PubChem CID 71681987) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole
PubChem CID71681987
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole
SMILESCn1cc(-c2cc3[nH]ncc3cc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H9N5O2/c1-15-6-8(5-13-15)9-3-10-7(4-12-14-10)2-11(9)16(17)18/h2-6H,1H3,(H,12,14)
InChIKeyCOYNYGUXSPJBCF-UHFFFAOYSA-N
XLogP1.87
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole (CID 71681987) is 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole is Cn1cc(-c2cc3[nH]ncc3cc2[N+](=O)[O-])cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole?
The InChIKey is COYNYGUXSPJBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-15-6-8(5-13-15)9-3-10-7(4-12-14-10)2-11(9)16(17)18/h2-6H,1H3,(H,12,14).
What are the key properties of 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole?
6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole has a molecular weight of 243.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-5-nitro-1H-indazole is sourced from PubChem (CID 71681987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).