N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide

C13H14IN3O — CID 19394235

IUPACN-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide
SMILESCCn1ncc(NC(=O)c2ccccc2I)c1C
InChIInChI=1S/C13H14IN3O/c1-3-17-9(2)12(8-15-17)16-13(18)10-6-4-5-7-11(10)14/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyCZQCRFXREHMAAW-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.07
Rot. Bonds3

About N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide

N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide (PubChem CID 19394235) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide
PubChem CID19394235
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC NameN-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide
SMILESCCn1ncc(NC(=O)c2ccccc2I)c1C
InChIInChI=1S/C13H14IN3O/c1-3-17-9(2)12(8-15-17)16-13(18)10-6-4-5-7-11(10)14/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyCZQCRFXREHMAAW-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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-(1-ethyl-5-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 19262605
N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166250317
2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide
CID 19394269
N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280815
N-(1-ethyl-5-methylpyrazol-4-yl)-4-nitrobenzamide
CID 4865654
ethyl 5-[(2-iodobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761486
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993
methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
CID 91648982
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide
CID 19412436
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-(1-ethyl-5-methylpyrazol-4-yl)-3,5-dinitrobenzamide
CID 19394271

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide (CID 19394235) is N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide is CCn1ncc(NC(=O)c2ccccc2I)c1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide?
The InChIKey is CZQCRFXREHMAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-3-17-9(2)12(8-15-17)16-13(18)10-6-4-5-7-11(10)14/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide?
N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide has a molecular weight of 355.18 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide is sourced from PubChem (CID 19394235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).