3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide

C12H11ClIN3O — CID 113251749

IUPAC3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H11ClIN3O/c1-7-11(6-17(2)16-7)15-12(18)8-3-4-10(14)9(13)5-8/h3-6H,1-2H3,(H,15,18)
InChIKeyCUBWMDDQPDPWHA-UHFFFAOYSA-N
MW375.60 g/mol
LogP3.24
Rot. Bonds2

About 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide

3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide (PubChem CID 113251749) has the molecular formula C12H11ClIN3O and a molecular weight of 375.60 g/mol. Its IUPAC name is 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
PubChem CID113251749
Molecular FormulaC12H11ClIN3O
Molecular Weight375.60 g/mol
Exact Mass374.96
IUPAC Name3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H11ClIN3O/c1-7-11(6-17(2)16-7)15-12(18)8-3-4-10(14)9(13)5-8/h3-6H,1-2H3,(H,15,18)
InChIKeyCUBWMDDQPDPWHA-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 53.24
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

4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
CID 103734986
3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
CID 113253959
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide (CID 113251749) is 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide is Cc1nn(C)cc1NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide?
The InChIKey is CUBWMDDQPDPWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3O/c1-7-11(6-17(2)16-7)15-12(18)8-3-4-10(14)9(13)5-8/h3-6H,1-2H3,(H,15,18).
What are the key properties of 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide?
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide has a molecular weight of 375.60 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide is sourced from PubChem (CID 113251749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).