5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide

C18H16FN3O — CID 42879083

IUPAC5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc(F)c3)n(C)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-12-6-8-15(9-7-12)20-18(23)16-11-17(22(2)21-16)13-4-3-5-14(19)10-13/h3-11H,1-2H3,(H,20,23)
InChIKeyGHAMRGKJTKZRTO-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.79
Rot. Bonds3

About 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide

5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 42879083) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID42879083
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc(F)c3)n(C)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-12-6-8-15(9-7-12)20-18(23)16-11-17(22(2)21-16)13-4-3-5-14(19)10-13/h3-11H,1-2H3,(H,20,23)
InChIKeyGHAMRGKJTKZRTO-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
CID 46104761
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
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
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 46104880
N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 42879090
ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336423

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide (CID 42879083) is 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccc(F)c3)n(C)n2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is GHAMRGKJTKZRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-6-8-15(9-7-12)20-18(23)16-11-17(22(2)21-16)13-4-3-5-14(19)10-13/h3-11H,1-2H3,(H,20,23).
What are the key properties of 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide?
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42879083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).