N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide

C15H12N4O3 — CID 36560800

IUPACN-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2ccc3cn[nH]c3c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O3/c1-9-6-10(3-5-14(9)19(21)22)15(20)17-12-4-2-11-8-16-18-13(11)7-12/h2-8H,1H3,(H,16,18)(H,17,20)
InChIKeyCZPHYVWEZBZUHL-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.03
Rot. Bonds3

About N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide

N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide (PubChem CID 36560800) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide
PubChem CID36560800
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2ccc3cn[nH]c3c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O3/c1-9-6-10(3-5-14(9)19(21)22)15(20)17-12-4-2-11-8-16-18-13(11)7-12/h2-8H,1H3,(H,16,18)(H,17,20)
InChIKeyCZPHYVWEZBZUHL-UHFFFAOYSA-N
XLogP3.03
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.03
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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Related Compounds

4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
N-(4-nitrophenyl)-1H-indazole-6-carboxamide
CID 62905610
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N-(4-cyano-1H-pyrazol-5-yl)-3-methyl-4-nitrobenzamide
CID 78913751
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155
N-(3-propan-2-ylphenyl)-1H-indazole-6-carboxamide
CID 60715255
N-[4-(acetylcarbamothioylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 5230068
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide?
The IUPAC name of N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide (CID 36560800) is N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide is Cc1cc(C(=O)Nc2ccc3cn[nH]c3c2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide?
The InChIKey is CZPHYVWEZBZUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-9-6-10(3-5-14(9)19(21)22)15(20)17-12-4-2-11-8-16-18-13(11)7-12/h2-8H,1H3,(H,16,18)(H,17,20).
What are the key properties of N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide?
N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide has a molecular weight of 296.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 36560800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).