N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide

C20H19Cl3F3N3O — CID 170103284

IUPACN-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide
SMILESC=C(c1c(Cl)cc(Cl)cc1Cl)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CCC1
InChIInChI=1S/C20H19Cl3F3N3O/c1-9(15-13(22)7-11(21)8-14(15)23)10(2)29(12-5-4-6-12)20(30)16-17(18(24)25)27-28(3)19(16)26/h7-8,10,12,18H,1,4-6H2,2-3H3
InChIKeySHXNBPCLIVZGLF-UHFFFAOYSA-N
MW480.75 g/mol
LogP6.55
Rot. Bonds6

About N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide

N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide (PubChem CID 170103284) has the molecular formula C20H19Cl3F3N3O and a molecular weight of 480.75 g/mol. Its IUPAC name is N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide
PubChem CID170103284
Molecular FormulaC20H19Cl3F3N3O
Molecular Weight480.75 g/mol
Exact Mass479.05
IUPAC NameN-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide
SMILESC=C(c1c(Cl)cc(Cl)cc1Cl)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CCC1
InChIInChI=1S/C20H19Cl3F3N3O/c1-9(15-13(22)7-11(21)8-14(15)23)10(2)29(12-5-4-6-12)20(30)16-17(18(24)25)27-28(3)19(16)26/h7-8,10,12,18H,1,4-6H2,2-3H3
InChIKeySHXNBPCLIVZGLF-UHFFFAOYSA-N
XLogP6.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.75
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide (CID 170103284) is N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide is C=C(c1c(Cl)cc(Cl)cc1Cl)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CCC1.
What is the InChIKey of N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
The InChIKey is SHXNBPCLIVZGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3F3N3O/c1-9(15-13(22)7-11(21)8-14(15)23)10(2)29(12-5-4-6-12)20(30)16-17(18(24)25)27-28(3)19(16)26/h7-8,10,12,18H,1,4-6H2,2-3H3.
What are the key properties of N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide has a molecular weight of 480.75 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 170103284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).