N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

C18H15BrFN3O — CID 110299551

IUPACN-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)cc1Br
InChIInChI=1S/C18H15BrFN3O/c1-11-3-8-14(9-15(11)19)21-18(24)16-10-17(23(2)22-16)12-4-6-13(20)7-5-12/h3-10H,1-2H3,(H,21,24)
InChIKeyWAWCDARVLUXLRF-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.55
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110299551) has the molecular formula C18H15BrFN3O and a molecular weight of 388.24 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110299551
Molecular FormulaC18H15BrFN3O
Molecular Weight388.24 g/mol
Exact Mass387.04
IUPAC NameN-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)cc1Br
InChIInChI=1S/C18H15BrFN3O/c1-11-3-8-14(9-15(11)19)21-18(24)16-10-17(23(2)22-16)12-4-6-13(20)7-5-12/h3-10H,1-2H3,(H,21,24)
InChIKeyWAWCDARVLUXLRF-UHFFFAOYSA-N
XLogP4.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299582
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
N-(4-bromo-3-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110685830
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392716
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
CID 46104761
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
CID 110411257

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (CID 110299551) is N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is WAWCDARVLUXLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O/c1-11-3-8-14(9-15(11)19)21-18(24)16-10-17(23(2)22-16)12-4-6-13(20)7-5-12/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 388.24 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110299551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).