1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole

C11H9N5O2 — CID 135973387

IUPAC1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole
SMILESCn1nc(-c2cn[nH]c2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H9N5O2/c1-15-10-3-2-8(16(17)18)4-9(10)11(14-15)7-5-12-13-6-7/h2-6H,1H3,(H,12,13)
InChIKeyXQLANUIXSNZABM-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.87
Rot. Bonds2

About 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole

1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole (PubChem CID 135973387) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole
PubChem CID135973387
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole
SMILESCn1nc(-c2cn[nH]c2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H9N5O2/c1-15-10-3-2-8(16(17)18)4-9(10)11(14-15)7-5-12-13-6-7/h2-6H,1H3,(H,12,13)
InChIKeyXQLANUIXSNZABM-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 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole?
The IUPAC name of 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole (CID 135973387) is 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole.
What is the SMILES notation for 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole?
The canonical SMILES for 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole is Cn1nc(-c2cn[nH]c2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole?
The InChIKey is XQLANUIXSNZABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-15-10-3-2-8(16(17)18)4-9(10)11(14-15)7-5-12-13-6-7/h2-6H,1H3,(H,12,13).
What are the key properties of 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole?
1-methyl-5-nitro-3-(1H-pyrazol-4-yl)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 1-methyl-5-nitro-3-(1H-pyrazol-4-yl)indazole is sourced from PubChem (CID 135973387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).