N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide

C22H16N4O3 — CID 11610682

IUPACN-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
InChIKeyKIALCSMRIHRFPL-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.70
Rot. Bonds5

About N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide

N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide (PubChem CID 11610682) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide
PubChem CID11610682
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
InChIKeyKIALCSMRIHRFPL-UHFFFAOYSA-N
XLogP4.70
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.70
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-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide (CID 11610682) is N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide?
The InChIKey is KIALCSMRIHRFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide?
N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide has a molecular weight of 384.40 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide is sourced from PubChem (CID 11610682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).