N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide

C20H20FN3O — CID 46104761

IUPACN-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(C)c(-c2cc(C(=O)Nc3cccc(F)c3)nn2C)c(C)c1
InChIInChI=1S/C20H20FN3O/c1-12-8-13(2)19(14(3)9-12)18-11-17(23-24(18)4)20(25)22-16-7-5-6-15(21)10-16/h5-11H,1-4H3,(H,22,25)
InChIKeyXUZQFMIKNAFVKK-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.40
Rot. Bonds3

About N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide

N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide (PubChem CID 46104761) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
PubChem CID46104761
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(C)c(-c2cc(C(=O)Nc3cccc(F)c3)nn2C)c(C)c1
InChIInChI=1S/C20H20FN3O/c1-12-8-13(2)19(14(3)9-12)18-11-17(23-24(18)4)20(25)22-16-7-5-6-15(21)10-16/h5-11H,1-4H3,(H,22,25)
InChIKeyXUZQFMIKNAFVKK-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-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

3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
N-(3-acetamidophenyl)-5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336739
N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336464
N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849679
4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4615060
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999140
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide (CID 46104761) is N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide is Cc1cc(C)c(-c2cc(C(=O)Nc3cccc(F)c3)nn2C)c(C)c1.
What is the InChIKey of N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide?
The InChIKey is XUZQFMIKNAFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-12-8-13(2)19(14(3)9-12)18-11-17(23-24(18)4)20(25)22-16-7-5-6-15(21)10-16/h5-11H,1-4H3,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide?
N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46104761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).