N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide

C12H12IN3O2 — CID 103524810

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H12IN3O2/c1-2-7-6-14-16-11(7)15-12(18)9-5-8(13)3-4-10(9)17/h3-6,17H,2H2,1H3,(H2,14,15,16,18)
InChIKeyPCPACYCITDWBTI-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.53
Rot. Bonds3

About N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide

N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide (PubChem CID 103524810) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide
PubChem CID103524810
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H12IN3O2/c1-2-7-6-14-16-11(7)15-12(18)9-5-8(13)3-4-10(9)17/h3-6,17H,2H2,1H3,(H2,14,15,16,18)
InChIKeyPCPACYCITDWBTI-UHFFFAOYSA-N
XLogP2.53
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)-5-iodobenzamide
CID 113364233
2-hydroxy-5-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 103710669
N-(4-ethyl-1H-pyrazol-5-yl)-3-hydroxypyridine-2-carboxamide
CID 104620340
2-hydroxy-5-iodo-N-(2-propylphenyl)benzamide
CID 107731680
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
N-(4-ethyl-1H-pyrazol-5-yl)-2-fluoropyridine-3-carboxamide
CID 114037892
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 113251945
N-(4-ethyl-1H-pyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 112697383
N-(4-ethyl-1H-pyrazol-5-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 103738045
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide
CID 104616629
N-(4-ethyl-1H-pyrazol-5-yl)pyrimidine-5-carboxamide
CID 104629328

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide (CID 103524810) is N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide is CCc1cn[nH]c1NC(=O)c1cc(I)ccc1O.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide?
The InChIKey is PCPACYCITDWBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c1-2-7-6-14-16-11(7)15-12(18)9-5-8(13)3-4-10(9)17/h3-6,17H,2H2,1H3,(H2,14,15,16,18).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide has a molecular weight of 357.15 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 103524810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).