N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide

C12H11FIN3O — CID 19261955

IUPACN-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2nn(C)cc2I)c1
InChIInChI=1S/C12H11FIN3O/c1-7-3-4-8(13)10(5-7)15-12(18)11-9(14)6-17(2)16-11/h3-6H,1-2H3,(H,15,18)
InChIKeyDACQXJMZXLPDDJ-UHFFFAOYSA-N
MW359.14 g/mol
LogP2.72
Rot. Bonds2

About N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide

N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 19261955) has the molecular formula C12H11FIN3O and a molecular weight of 359.14 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID19261955
Molecular FormulaC12H11FIN3O
Molecular Weight359.14 g/mol
Exact Mass358.99
IUPAC NameN-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2nn(C)cc2I)c1
InChIInChI=1S/C12H11FIN3O/c1-7-3-4-8(13)10(5-7)15-12(18)11-9(14)6-17(2)16-11/h3-6H,1-2H3,(H,15,18)
InChIKeyDACQXJMZXLPDDJ-UHFFFAOYSA-N
XLogP2.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 52.72
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
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
4-chloro-N-(2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267924
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
1-ethyl-N-(2-fluoro-5-methylphenyl)-4-nitropyrazole-3-carboxamide
CID 841663
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262147
4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19262071
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide (CID 19261955) is N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide is Cc1ccc(F)c(NC(=O)c2nn(C)cc2I)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is DACQXJMZXLPDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3O/c1-7-3-4-8(13)10(5-7)15-12(18)11-9(14)6-17(2)16-11/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 359.14 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19261955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).