N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C13H13BrFN3O — CID 103753650

IUPACN-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H13BrFN3O/c1-7-12(8(2)18(3)17-7)13(19)16-11-6-9(15)4-5-10(11)14/h4-6H,1-3H3,(H,16,19)
InChIKeyFOJUOJHFQRBBDH-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.19
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 103753650) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID103753650
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC NameN-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H13BrFN3O/c1-7-12(8(2)18(3)17-7)13(19)16-11-6-9(15)4-5-10(11)14/h4-6H,1-3H3,(H,16,19)
InChIKeyFOJUOJHFQRBBDH-UHFFFAOYSA-N
XLogP3.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742902
N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 103860189
N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104757095
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 110472944
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106834916
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
4-methyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28742531
N-[2-(bromomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 113274430
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 103753650) is N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is FOJUOJHFQRBBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-7-12(8(2)18(3)17-7)13(19)16-11-6-9(15)4-5-10(11)14/h4-6H,1-3H3,(H,16,19).
What are the key properties of N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 326.17 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103753650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).