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

C22H26F3N3O — CID 170103364

IUPACN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide
SMILESC=C(c1c(C)cc(C)cc1C)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C22H26F3N3O/c1-11-9-12(2)17(13(3)10-11)14(4)15(5)28(16-7-8-16)22(29)18-19(20(23)24)26-27(6)21(18)25/h9-10,15-16,20H,4,7-8H2,1-3,5-6H3
InChIKeyRRQBZDOTEOCUCN-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.13
Rot. Bonds6

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

N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide (PubChem CID 170103364) has the molecular formula C22H26F3N3O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide
PubChem CID170103364
Molecular FormulaC22H26F3N3O
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide
SMILESC=C(c1c(C)cc(C)cc1C)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C22H26F3N3O/c1-11-9-12(2)17(13(3)10-11)14(4)15(5)28(16-7-8-16)22(29)18-19(20(23)24)26-27(6)21(18)25/h9-10,15-16,20H,4,7-8H2,1-3,5-6H3
InChIKeyRRQBZDOTEOCUCN-UHFFFAOYSA-N
XLogP5.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)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-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide (CID 170103364) is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide is C=C(c1c(C)cc(C)cc1C)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
The InChIKey is RRQBZDOTEOCUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O/c1-11-9-12(2)17(13(3)10-11)14(4)15(5)28(16-7-8-16)22(29)18-19(20(23)24)26-27(6)21(18)25/h9-10,15-16,20H,4,7-8H2,1-3,5-6H3.
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 170103364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).