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

C12H12IN3O2 — CID 4617866

IUPAC4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2nn(C)cc2I)c1
InChIInChI=1S/C12H12IN3O2/c1-16-7-10(13)11(15-16)12(17)14-8-4-3-5-9(6-8)18-2/h3-7H,1-2H3,(H,14,17)
InChIKeyGCQBCYDPOUHRSW-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.29
Rot. Bonds3

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

4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 4617866) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID4617866
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC Name4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2nn(C)cc2I)c1
InChIInChI=1S/C12H12IN3O2/c1-16-7-10(13)11(15-16)12(17)14-8-4-3-5-9(6-8)18-2/h3-7H,1-2H3,(H,14,17)
InChIKeyGCQBCYDPOUHRSW-UHFFFAOYSA-N
XLogP2.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301131
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262105
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 4765478
5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide
CID 52577352
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 4617866) is 4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1cccc(NC(=O)c2nn(C)cc2I)c1.
What is the InChIKey of 4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is GCQBCYDPOUHRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c1-16-7-10(13)11(15-16)12(17)14-8-4-3-5-9(6-8)18-2/h3-7H,1-2H3,(H,14,17).
What are the key properties of 4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 357.15 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4617866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).