N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide

C11H9FIN3O — CID 5301133

IUPACN-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C11H9FIN3O/c1-16-6-9(13)10(15-16)11(17)14-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,17)
InChIKeyVACIYYHCRAACTB-UHFFFAOYSA-N
MW345.12 g/mol
LogP2.42
Rot. Bonds2

About N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide

N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 5301133) has the molecular formula C11H9FIN3O and a molecular weight of 345.12 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID5301133
Molecular FormulaC11H9FIN3O
Molecular Weight345.12 g/mol
Exact Mass344.98
IUPAC NameN-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C11H9FIN3O/c1-16-6-9(13)10(15-16)11(17)14-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,17)
InChIKeyVACIYYHCRAACTB-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 52.42
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-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301131
4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 4617866
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262034
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262147
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 42640923
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19262071
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097609
N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088768
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide (CID 5301133) is N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is VACIYYHCRAACTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3O/c1-16-6-9(13)10(15-16)11(17)14-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,17).
What are the key properties of N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 345.12 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 5301133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).