N-(3-nitrophenyl)-1H-indazole-3-carboxamide

C14H10N4O3 — CID 9411051

IUPACN-(3-nitrophenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H10N4O3/c19-14(13-11-6-1-2-7-12(11)16-17-13)15-9-4-3-5-10(8-9)18(20)21/h1-8H,(H,15,19)(H,16,17)
InChIKeyLFTVDAUCUKIJEN-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.72
Rot. Bonds3

About N-(3-nitrophenyl)-1H-indazole-3-carboxamide

N-(3-nitrophenyl)-1H-indazole-3-carboxamide (PubChem CID 9411051) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(3-nitrophenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-1H-indazole-3-carboxamide
PubChem CID9411051
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC NameN-(3-nitrophenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H10N4O3/c19-14(13-11-6-1-2-7-12(11)16-17-13)15-9-4-3-5-10(8-9)18(20)21/h1-8H,(H,15,19)(H,16,17)
InChIKeyLFTVDAUCUKIJEN-UHFFFAOYSA-N
XLogP2.72
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-nitrophenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-1H-indazole-3-carboxamide (CID 9411051) is N-(3-nitrophenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-1H-indazole-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(3-nitrophenyl)-1H-indazole-3-carboxamide?
The InChIKey is LFTVDAUCUKIJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14(13-11-6-1-2-7-12(11)16-17-13)15-9-4-3-5-10(8-9)18(20)21/h1-8H,(H,15,19)(H,16,17).
What are the key properties of N-(3-nitrophenyl)-1H-indazole-3-carboxamide?
N-(3-nitrophenyl)-1H-indazole-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 9411051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).