N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide

C17H14IN3O — CID 26285543

IUPACN-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1I
InChIInChI=1S/C17H14IN3O/c1-12-7-8-14(9-16(12)18)20-17(22)13-10-19-21(11-13)15-5-3-2-4-6-15/h2-11H,1H3,(H,20,22)
InChIKeyHZTOWGCICPPKOQ-UHFFFAOYSA-N
MW403.22 g/mol
LogP4.04
Rot. Bonds3

About N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 26285543) has the molecular formula C17H14IN3O and a molecular weight of 403.22 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID26285543
Molecular FormulaC17H14IN3O
Molecular Weight403.22 g/mol
Exact Mass403.02
IUPAC NameN-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1I
InChIInChI=1S/C17H14IN3O/c1-12-7-8-14(9-16(12)18)20-17(22)13-10-19-21(11-13)15-5-3-2-4-6-15/h2-11H,1H3,(H,20,22)
InChIKeyHZTOWGCICPPKOQ-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 54.04
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-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 26244337
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55839751
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 134029541
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 25436790
1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 29202603
1-(4-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrazole-4-carboxamide
CID 55774788

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 26285543) is N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is HZTOWGCICPPKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3O/c1-12-7-8-14(9-16(12)18)20-17(22)13-10-19-21(11-13)15-5-3-2-4-6-15/h2-11H,1H3,(H,20,22).
What are the key properties of N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 403.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 26285543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).