5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide

C15H14Cl3F2N3O — CID 132993062

IUPAC5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(Cc1c(Cl)cc(Cl)cc1Cl)N(C)C(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C15H14Cl3F2N3O/c1-7(3-9-11(17)4-8(16)5-12(9)18)23(2)15(24)10-6-21-22-13(10)14(19)20/h4-7,14H,3H2,1-2H3,(H,21,22)
InChIKeyFVRJIEXCABIGFZ-UHFFFAOYSA-N
MW396.65 g/mol
LogP5.01
Rot. Bonds5

About 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide

5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 132993062) has the molecular formula C15H14Cl3F2N3O and a molecular weight of 396.65 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID132993062
Molecular FormulaC15H14Cl3F2N3O
Molecular Weight396.65 g/mol
Exact Mass395.02
IUPAC Name5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(Cc1c(Cl)cc(Cl)cc1Cl)N(C)C(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C15H14Cl3F2N3O/c1-7(3-9-11(17)4-8(16)5-12(9)18)23(2)15(24)10-6-21-22-13(10)14(19)20/h4-7,14H,3H2,1-2H3,(H,21,22)
InChIKeyFVRJIEXCABIGFZ-UHFFFAOYSA-N
XLogP5.01
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide (CID 132993062) is 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide is CC(Cc1c(Cl)cc(Cl)cc1Cl)N(C)C(=O)c1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is FVRJIEXCABIGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3F2N3O/c1-7(3-9-11(17)4-8(16)5-12(9)18)23(2)15(24)10-6-21-22-13(10)14(19)20/h4-7,14H,3H2,1-2H3,(H,21,22).
What are the key properties of 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 396.65 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 132993062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).