CID 154652808

C16H12BN3O — CID 154652808

IUPAC—
SMILES[B]c1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12BN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-11-20(19-15)14-4-2-1-3-5-14/h1-11H,(H,18,19,21)
InChIKeyQRHGSYQRBFYAOA-UHFFFAOYSA-N
MW273.10 g/mol
LogP1.92
Rot. Bonds3

About CID 154652808

CID 154652808 (PubChem CID 154652808) has the molecular formula C16H12BN3O and a molecular weight of 273.10 g/mol.

Molecular Properties

Compound NameCID 154652808
PubChem CID154652808
Molecular FormulaC16H12BN3O
Molecular Weight273.10 g/mol
Exact Mass273.11
IUPAC Name—
SMILES[B]c1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12BN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-11-20(19-15)14-4-2-1-3-5-14/h1-11H,(H,18,19,21)
InChIKeyQRHGSYQRBFYAOA-UHFFFAOYSA-N
XLogP1.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]carbamate
CID 55547621
4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536361
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537355
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536362
4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
CID 46107035
4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55596683
phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55566549
N-(1-phenylpyrazol-3-yl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55547682

Frequently Asked Questions

What is the IUPAC name of CID 154652808?
The IUPAC name of CID 154652808 (CID 154652808) is not available.
What is the SMILES notation for CID 154652808?
The canonical SMILES for CID 154652808 is [B]c1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of CID 154652808?
The InChIKey is QRHGSYQRBFYAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-11-20(19-15)14-4-2-1-3-5-14/h1-11H,(H,18,19,21).
What are the key properties of CID 154652808?
CID 154652808 has a molecular weight of 273.10 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154652808 is sourced from PubChem (CID 154652808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).