CID 89224809

C20H20BN3O — CID 89224809

IUPAC—
SMILES[B]c1cccc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C20H20BN3O/c1-14-19(15(2)24(23-14)18-9-4-3-5-10-18)12-20(25)22-13-16-7-6-8-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyZLFOAMODLOXAQE-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.14
Rot. Bonds5

About CID 89224809

CID 89224809 (PubChem CID 89224809) has the molecular formula C20H20BN3O and a molecular weight of 329.21 g/mol.

Molecular Properties

Compound NameCID 89224809
PubChem CID89224809
Molecular FormulaC20H20BN3O
Molecular Weight329.21 g/mol
Exact Mass329.17
IUPAC Name—
SMILES[B]c1cccc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C20H20BN3O/c1-14-19(15(2)24(23-14)18-9-4-3-5-10-18)12-20(25)22-13-16-7-6-8-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyZLFOAMODLOXAQE-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.14
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

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CID 25106481
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 25106305
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CID 9427471
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
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2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
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N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of CID 89224809?
The IUPAC name of CID 89224809 (CID 89224809) is not available.
What is the SMILES notation for CID 89224809?
The canonical SMILES for CID 89224809 is [B]c1cccc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of CID 89224809?
The InChIKey is ZLFOAMODLOXAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BN3O/c1-14-19(15(2)24(23-14)18-9-4-3-5-10-18)12-20(25)22-13-16-7-6-8-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of CID 89224809?
CID 89224809 has a molecular weight of 329.21 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89224809 is sourced from PubChem (CID 89224809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).