N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide

C13H14IN3O — CID 113349963

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccccc1I
InChIInChI=1S/C13H14IN3O/c1-3-11-12(8-17(2)16-11)15-13(18)9-6-4-5-7-10(9)14/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyCZOLOHXWSNXKST-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.84
Rot. Bonds3

About N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide

N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide (PubChem CID 113349963) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
PubChem CID113349963
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccccc1I
InChIInChI=1S/C13H14IN3O/c1-3-11-12(8-17(2)16-11)15-13(18)9-6-4-5-7-10(9)14/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyCZOLOHXWSNXKST-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.84
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-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide
CID 107463107
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 103910051
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
N-(2-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810468
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide (CID 113349963) is N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide is CCc1nn(C)cc1NC(=O)c1ccccc1I.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide?
The InChIKey is CZOLOHXWSNXKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-3-11-12(8-17(2)16-11)15-13(18)9-6-4-5-7-10(9)14/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide has a molecular weight of 355.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide is sourced from PubChem (CID 113349963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).