1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H10ClF3IN3O — CID 46635513

IUPAC1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C17H10ClF3IN3O/c18-10-2-1-3-13(8-10)25-15(17(19,20)21)14(9-23-25)16(26)24-12-6-4-11(22)5-7-12/h1-9H,(H,24,26)
InChIKeyWWSSWLWMFUOAAN-UHFFFAOYSA-N
MW491.64 g/mol
LogP5.40
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46635513) has the molecular formula C17H10ClF3IN3O and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46635513
Molecular FormulaC17H10ClF3IN3O
Molecular Weight491.64 g/mol
Exact Mass490.95
IUPAC Name1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C17H10ClF3IN3O/c18-10-2-1-3-13(8-10)25-15(17(19,20)21)14(9-23-25)16(26)24-12-6-4-11(22)5-7-12/h1-9H,(H,24,26)
InChIKeyWWSSWLWMFUOAAN-UHFFFAOYSA-N
XLogP5.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.40
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-(carbamoylamino)phenyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33439470
1-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46553625
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24664619
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
1-(4-chlorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46669190
1-(3-chlorophenyl)-N-[3-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465797
1-(3-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 38631034
N-(3-chlorophenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2808385
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(3-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46642923
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 46635513) is 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(I)cc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WWSSWLWMFUOAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3IN3O/c18-10-2-1-3-13(8-10)25-15(17(19,20)21)14(9-23-25)16(26)24-12-6-4-11(22)5-7-12/h1-9H,(H,24,26).
What are the key properties of 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46635513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).