3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one

C22H17N3O3 — CID 134844775

IUPAC3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)n1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1
InChIInChI=1S/C22H17N3O3/c26-22(17-9-5-2-6-10-17)14-21(16-7-3-1-4-8-16)24-20-12-11-19(25(27)28)13-18(20)15-23-24/h1-13,15,21H,14H2
InChIKeyYKNORAXROZTPPE-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.81
Rot. Bonds6

About 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one

3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one (PubChem CID 134844775) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one
PubChem CID134844775
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)n1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1
InChIInChI=1S/C22H17N3O3/c26-22(17-9-5-2-6-10-17)14-21(16-7-3-1-4-8-16)24-20-12-11-19(25(27)28)13-18(20)15-23-24/h1-13,15,21H,14H2
InChIKeyYKNORAXROZTPPE-UHFFFAOYSA-N
XLogP4.81
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
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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Related Compounds

2-Phenyl-2-(5-phenyl-1-pyrazolyl)acetophenone
CID 319155
2-(3-amino-3-oxopropyl)-3-(3-nitrobenzoyl)-2H-indazole 1-oxide
CID 24819986
N-{2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-2H-indazol-5-yl}-3-nitrobenzamide
CID 170452559
1-(1-Methyl-1H-indazol-6-yl)ethanone
CID 44119226
4-chlorophenyl 5-nitro(1H-indazolyl) ketone
CID 4572431
2-Indazol-2-yl-1-(4-nitrophenyl)ethanone
CID 57382194
2-(7-Nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone
CID 57382195
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 57402944
(5-nitro-1H-indazol-1-yl)(phenyl)methanone
CID 153684625
(3-Methylphenyl)-(5-nitroindazol-1-yl)methanone
CID 155569395
2-Indazol-2-yl-1-phenylethanone
CID 139085126
4-(1-(1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl)-1H-indazol-4-yl)benzamide
CID 126601508

Frequently Asked Questions

What is the IUPAC name of 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one?
The IUPAC name of 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one (CID 134844775) is 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)n1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1.
What is the InChIKey of 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one?
The InChIKey is YKNORAXROZTPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-22(17-9-5-2-6-10-17)14-21(16-7-3-1-4-8-16)24-20-12-11-19(25(27)28)13-18(20)15-23-24/h1-13,15,21H,14H2.
What are the key properties of 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one?
3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one has a molecular weight of 371.40 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitroindazol-1-yl)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 134844775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).