4-nitro-6-propan-2-yl-1H-indazole

C10H11N3O2 — CID 24729319

IUPAC4-nitro-6-propan-2-yl-1H-indazole
SMILESCC(C)c1cc([N+](=O)[O-])c2cn[nH]c2c1
InChIInChI=1S/C10H11N3O2/c1-6(2)7-3-9-8(5-11-12-9)10(4-7)13(14)15/h3-6H,1-2H3,(H,11,12)
InChIKeyZBXNMYBLEZPGEE-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.59
Rot. Bonds2

About 4-nitro-6-propan-2-yl-1H-indazole

4-nitro-6-propan-2-yl-1H-indazole (PubChem CID 24729319) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-nitro-6-propan-2-yl-1H-indazole.

Molecular Properties

Compound Name4-nitro-6-propan-2-yl-1H-indazole
PubChem CID24729319
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-nitro-6-propan-2-yl-1H-indazole
SMILESCC(C)c1cc([N+](=O)[O-])c2cn[nH]c2c1
InChIInChI=1S/C10H11N3O2/c1-6(2)7-3-9-8(5-11-12-9)10(4-7)13(14)15/h3-6H,1-2H3,(H,11,12)
InChIKeyZBXNMYBLEZPGEE-UHFFFAOYSA-N
XLogP2.59
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-nitro-1H-indazole-6-carboxylic acid
CID 24728271
4-nitro-1H-indazole-6-carboxamide
CID 171066795
methyl 4-nitro-1H-indazole-6-carboxylate
CID 24728064
4-nitro-1H-indazole-6-carbohydrazide
CID 171066779
4-(2-methoxypropyl)-5-nitro-1H-indazole
CID 174745244
1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326406
N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine
CID 118096232
6-methyl-4,5-di(propan-2-yl)-1H-indazole
CID 171650760
2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
CID 122150956
1-ethenyl-2-nitro-4-propan-2-ylbenzene
CID 19936978
CID 158735382
CID 158735382
6-nitro-1H-indazole-5-carbonitrile
CID 76846367

Frequently Asked Questions

What is the IUPAC name of 4-nitro-6-propan-2-yl-1H-indazole?
The IUPAC name of 4-nitro-6-propan-2-yl-1H-indazole (CID 24729319) is 4-nitro-6-propan-2-yl-1H-indazole.
What is the SMILES notation for 4-nitro-6-propan-2-yl-1H-indazole?
The canonical SMILES for 4-nitro-6-propan-2-yl-1H-indazole is CC(C)c1cc([N+](=O)[O-])c2cn[nH]c2c1.
What is the InChIKey of 4-nitro-6-propan-2-yl-1H-indazole?
The InChIKey is ZBXNMYBLEZPGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(2)7-3-9-8(5-11-12-9)10(4-7)13(14)15/h3-6H,1-2H3,(H,11,12).
What are the key properties of 4-nitro-6-propan-2-yl-1H-indazole?
4-nitro-6-propan-2-yl-1H-indazole has a molecular weight of 205.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-6-propan-2-yl-1H-indazole is sourced from PubChem (CID 24729319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).