[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol

C15H19N3O4 — CID 162721663

IUPAC[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O4/c1-22-15-7-13-11(6-14(15)18(20)21)8-17(16-13)12-4-2-10(9-19)3-5-12/h6-8,10,12,19H,2-5,9H2,1H3
InChIKeyHZHZPUQFZAHFHL-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.68
Rot. Bonds4

About [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol

[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol (PubChem CID 162721663) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol
PubChem CID162721663
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O4/c1-22-15-7-13-11(6-14(15)18(20)21)8-17(16-13)12-4-2-10(9-19)3-5-12/h6-8,10,12,19H,2-5,9H2,1H3
InChIKeyHZHZPUQFZAHFHL-UHFFFAOYSA-N
XLogP2.68
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol?
The IUPAC name of [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol (CID 162721663) is [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol?
The canonical SMILES for [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol is COc1cc2nn(C3CCC(CO)CC3)cc2cc1[N+](=O)[O-].
What is the InChIKey of [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol?
The InChIKey is HZHZPUQFZAHFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-22-15-7-13-11(6-14(15)18(20)21)8-17(16-13)12-4-2-10(9-19)3-5-12/h6-8,10,12,19H,2-5,9H2,1H3.
What are the key properties of [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol?
[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol has a molecular weight of 305.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 162721663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).