N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide

C12H12IN3O — CID 47423222

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
SMILESCCc1cc(NC(=O)c2cccc(I)c2)n[nH]1
InChIInChI=1S/C12H12IN3O/c1-2-10-7-11(16-15-10)14-12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyNFIUQJBGFUWBBQ-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.83
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide

N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide (PubChem CID 47423222) has the molecular formula C12H12IN3O and a molecular weight of 341.15 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
PubChem CID47423222
Molecular FormulaC12H12IN3O
Molecular Weight341.15 g/mol
Exact Mass341.00
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
SMILESCCc1cc(NC(=O)c2cccc(I)c2)n[nH]1
InChIInChI=1S/C12H12IN3O/c1-2-10-7-11(16-15-10)14-12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyNFIUQJBGFUWBBQ-UHFFFAOYSA-N
XLogP2.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433320
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
N-(5-ethyl-1H-pyrazol-3-yl)quinoxaline-6-carboxamide
CID 115884080
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide
CID 47423292
3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616103
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47423228
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide (CID 47423222) is N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide is CCc1cc(NC(=O)c2cccc(I)c2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide?
The InChIKey is NFIUQJBGFUWBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O/c1-2-10-7-11(16-15-10)14-12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide?
N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide has a molecular weight of 341.15 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide is sourced from PubChem (CID 47423222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).