N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide

C15H11ClN4O3 — CID 5049400

IUPACN-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H11ClN4O3/c1-9-2-4-11(16)6-13(9)18-15(21)19-14-7-12(20(22)23)5-3-10(14)8-17-19/h2-8H,1H3,(H,18,21)
InChIKeyISHVIYZPGQTJIZ-UHFFFAOYSA-N
MW330.73 g/mol
LogP3.99
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide

N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide (PubChem CID 5049400) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide
PubChem CID5049400
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC NameN-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H11ClN4O3/c1-9-2-4-11(16)6-13(9)18-15(21)19-14-7-12(20(22)23)5-3-10(14)8-17-19/h2-8H,1H3,(H,18,21)
InChIKeyISHVIYZPGQTJIZ-UHFFFAOYSA-N
XLogP3.99
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 53.99
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 N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide (CID 5049400) is N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)n1ncc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide?
The InChIKey is ISHVIYZPGQTJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c1-9-2-4-11(16)6-13(9)18-15(21)19-14-7-12(20(22)23)5-3-10(14)8-17-19/h2-8H,1H3,(H,18,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide?
N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide has a molecular weight of 330.73 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-nitroindazole-1-carboxamide is sourced from PubChem (CID 5049400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).