N-(2-benzylpyrazol-3-yl)-4-iodobenzamide

C17H14IN3O — CID 55359598

IUPACN-(2-benzylpyrazol-3-yl)-4-iodobenzamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C17H14IN3O/c18-15-8-6-14(7-9-15)17(22)20-16-10-11-19-21(16)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,22)
InChIKeyCRABSIHNLPAVPV-UHFFFAOYSA-N
MW403.22 g/mol
LogP3.79
Rot. Bonds4

About N-(2-benzylpyrazol-3-yl)-4-iodobenzamide

N-(2-benzylpyrazol-3-yl)-4-iodobenzamide (PubChem CID 55359598) has the molecular formula C17H14IN3O and a molecular weight of 403.22 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-4-iodobenzamide
PubChem CID55359598
Molecular FormulaC17H14IN3O
Molecular Weight403.22 g/mol
Exact Mass403.02
IUPAC NameN-(2-benzylpyrazol-3-yl)-4-iodobenzamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C17H14IN3O/c18-15-8-6-14(7-9-15)17(22)20-16-10-11-19-21(16)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,22)
InChIKeyCRABSIHNLPAVPV-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740
N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide
CID 9118345
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
CID 55452348
N-(2-benzylpyrazol-3-yl)-2-phenoxypyridine-3-carboxamide
CID 8890850
N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55359546
(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
CID 7589756
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 31124402

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-4-iodobenzamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-4-iodobenzamide (CID 55359598) is N-(2-benzylpyrazol-3-yl)-4-iodobenzamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-4-iodobenzamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-4-iodobenzamide is O=C(Nc1ccnn1Cc1ccccc1)c1ccc(I)cc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-4-iodobenzamide?
The InChIKey is CRABSIHNLPAVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3O/c18-15-8-6-14(7-9-15)17(22)20-16-10-11-19-21(16)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,22).
What are the key properties of N-(2-benzylpyrazol-3-yl)-4-iodobenzamide?
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide has a molecular weight of 403.22 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-4-iodobenzamide is sourced from PubChem (CID 55359598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).