3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide

C13H13FIN3O — CID 114258712

IUPAC3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1cccc(F)c1I
InChIInChI=1S/C13H13FIN3O/c1-3-10-8(7-18(2)17-10)13(19)16-11-6-4-5-9(14)12(11)15/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeyIVFNYLPCJRSXQX-UHFFFAOYSA-N
MW373.17 g/mol
LogP2.98
Rot. Bonds3

About 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide

3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 114258712) has the molecular formula C13H13FIN3O and a molecular weight of 373.17 g/mol. Its IUPAC name is 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID114258712
Molecular FormulaC13H13FIN3O
Molecular Weight373.17 g/mol
Exact Mass373.01
IUPAC Name3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1cccc(F)c1I
InChIInChI=1S/C13H13FIN3O/c1-3-10-8(7-18(2)17-10)13(19)16-11-6-4-5-9(14)12(11)15/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeyIVFNYLPCJRSXQX-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 52.98
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

2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
N-(2-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810468
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
CID 102810114
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 102810213
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
CID 103910077
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 102810895

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide (CID 114258712) is 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)Nc1cccc(F)c1I.
What is the InChIKey of 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is IVFNYLPCJRSXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN3O/c1-3-10-8(7-18(2)17-10)13(19)16-11-6-4-5-9(14)12(11)15/h4-7H,3H2,1-2H3,(H,16,19).
What are the key properties of 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide?
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 373.17 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 114258712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).