3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide

C18H14F2IN3O — CID 66920609

IUPAC3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccc(I)cc2)c(C(F)F)n1
InChIInChI=1S/C18H14F2IN3O/c1-24-10-14(16(23-24)17(19)20)18(25)22-15-5-3-2-4-13(15)11-6-8-12(21)9-7-11/h2-10,17H,1H3,(H,22,25)
InChIKeyGWYNUPJLGRSKTN-UHFFFAOYSA-N
MW453.23 g/mol
LogP4.88
Rot. Bonds4

About 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide

3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 66920609) has the molecular formula C18H14F2IN3O and a molecular weight of 453.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID66920609
Molecular FormulaC18H14F2IN3O
Molecular Weight453.23 g/mol
Exact Mass453.01
IUPAC Name3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2ccc(I)cc2)c(C(F)F)n1
InChIInChI=1S/C18H14F2IN3O/c1-24-10-14(16(23-24)17(19)20)18(25)22-15-5-3-2-4-13(15)11-6-8-12(21)9-7-11/h2-10,17H,1H3,(H,22,25)
InChIKeyGWYNUPJLGRSKTN-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.23
LogP ≤ 54.88
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

3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 68910253
3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 57466155
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
3-(difluoromethyl)-1-methyl-N-[2-[3-(trifluoromethylsulfanyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 143664100
3-(difluoromethyl)-5-fluoro-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
CID 160595003
3-(difluoromethyl)-1-methyl-N-[2-(4,4,4-trifluoro-3-methylbutyl)phenyl]pyrazole-4-carboxamide
CID 57497963
3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559816
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250
N-(3-tert-butyl-2-fluorophenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 146322613
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
CID 143209520
N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 134308060
3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide
CID 162689526

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide (CID 66920609) is 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2-c2ccc(I)cc2)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is GWYNUPJLGRSKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2IN3O/c1-24-10-14(16(23-24)17(19)20)18(25)22-15-5-3-2-4-13(15)11-6-8-12(21)9-7-11/h2-10,17H,1H3,(H,22,25).
What are the key properties of 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 453.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 66920609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).