N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H18F5N3O — CID 55859853

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC(C)Cc3c(F)cccc3F)c2C(F)(F)F)cc1
InChIInChI=1S/C21H18F5N3O/c1-12-6-8-14(9-7-12)29-19(21(24,25)26)16(11-27-29)20(30)28-13(2)10-15-17(22)4-3-5-18(15)23/h3-9,11,13H,10H2,1-2H3,(H,28,30)
InChIKeyKNDXNXZFGIHUNS-UHFFFAOYSA-N
MW423.39 g/mol
LogP4.84
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55859853) has the molecular formula C21H18F5N3O and a molecular weight of 423.39 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55859853
Molecular FormulaC21H18F5N3O
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC(C)Cc3c(F)cccc3F)c2C(F)(F)F)cc1
InChIInChI=1S/C21H18F5N3O/c1-12-6-8-14(9-7-12)29-19(21(24,25)26)16(11-27-29)20(30)28-13(2)10-15-17(22)4-3-5-18(15)23/h3-9,11,13H,10H2,1-2H3,(H,28,30)
InChIKeyKNDXNXZFGIHUNS-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)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

Related Compounds

N-(4-methoxybutan-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 71685118
2-methyl-3-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119236703
N-(4-methylpentyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 43060647
1-(4-chlorophenyl)-N-[(2S,3R)-3-hydroxy-4-phenylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 97238123
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-(2-fluoro-4-methylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55463902
N-[3-(methylamino)propyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119433288
N-[2-(ethylamino)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119508538
1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 129402287
1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146123353
1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95287399
N-[2-(azepan-1-yl)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55613253

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55859853) is N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NC(C)Cc3c(F)cccc3F)c2C(F)(F)F)cc1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is KNDXNXZFGIHUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N3O/c1-12-6-8-14(9-7-12)29-19(21(24,25)26)16(11-27-29)20(30)28-13(2)10-15-17(22)4-3-5-18(15)23/h3-9,11,13H,10H2,1-2H3,(H,28,30).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 423.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55859853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).