1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide

C17H12Cl2IN3O — CID 118923029

IUPAC1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(N)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1
InChIInChI=1S/C17H12Cl2IN3O/c1-9-15(17(21)24)22-23(14-7-4-11(18)8-13(14)19)16(9)10-2-5-12(20)6-3-10/h2-8H,1H3,(H2,21,24)
InChIKeyFLNBHBOIMUCNAS-UHFFFAOYSA-N
MW472.11 g/mol
LogP4.86
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 118923029) has the molecular formula C17H12Cl2IN3O and a molecular weight of 472.11 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide
PubChem CID118923029
Molecular FormulaC17H12Cl2IN3O
Molecular Weight472.11 g/mol
Exact Mass470.94
IUPAC Name1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(N)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1
InChIInChI=1S/C17H12Cl2IN3O/c1-9-15(17(21)24)22-23(14-7-4-11(18)8-13(14)19)16(9)10-2-5-12(20)6-3-10/h2-8H,1H3,(H2,21,24)
InChIKeyFLNBHBOIMUCNAS-UHFFFAOYSA-N
XLogP4.86
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.11
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2,2,2-trifluoroethanone
CID 71654208
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol
CID 143943814
2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 24748688
tert-butyl-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]carbamic acid
CID 69235906
N-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 11102177
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-4-methylpyrazole-3-carboxamide
CID 10884669
N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 25261165

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide (CID 118923029) is 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide is Cc1c(C(N)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is FLNBHBOIMUCNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2IN3O/c1-9-15(17(21)24)22-23(14-7-4-11(18)8-13(14)19)16(9)10-2-5-12(20)6-3-10/h2-8H,1H3,(H2,21,24).
What are the key properties of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 472.11 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118923029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).