1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide

C18H14F2IN3O — CID 55639239

IUPAC1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H14F2IN3O/c1-10-17(18(25)22-14-6-4-13(21)5-7-14)11(2)24(23-10)16-8-3-12(19)9-15(16)20/h3-9H,1-2H3,(H,22,25)
InChIKeyUCTZDBBHCSZAIR-UHFFFAOYSA-N
MW453.23 g/mol
LogP4.62
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide

1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 55639239) has the molecular formula C18H14F2IN3O and a molecular weight of 453.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID55639239
Molecular FormulaC18H14F2IN3O
Molecular Weight453.23 g/mol
Exact Mass453.01
IUPAC Name1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H14F2IN3O/c1-10-17(18(25)22-14-6-4-13(21)5-7-14)11(2)24(23-10)16-8-3-12(19)9-15(16)20/h3-9H,1-2H3,(H,22,25)
InChIKeyUCTZDBBHCSZAIR-UHFFFAOYSA-N
XLogP4.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.23
LogP ≤ 54.62
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-[4-(cyanomethoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55638721
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55961631
ethyl (E)-3-[4-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]phenyl]prop-2-enoate
CID 55638881
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55639396
1-(2,4-difluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86974256
1-(2,4-difluorophenyl)-3,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrazole-4-carboxamide
CID 55639493
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazole-4-carboxamide
CID 55968654
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55638722
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55679313
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25336520

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 55639239) is 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is UCTZDBBHCSZAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2IN3O/c1-10-17(18(25)22-14-6-4-13(21)5-7-14)11(2)24(23-10)16-8-3-12(19)9-15(16)20/h3-9H,1-2H3,(H,22,25).
What are the key properties of 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 453.23 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55639239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).