4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide

C13H13BrFN3O — CID 35591245

IUPAC4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1nn(C)c(C)c1Br
InChIInChI=1S/C13H13BrFN3O/c1-7-6-9(15)4-5-10(7)16-13(19)12-11(14)8(2)18(3)17-12/h4-6H,1-3H3,(H,16,19)
InChIKeyURTWWXIRDMQCJZ-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.19
Rot. Bonds2

About 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 35591245) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID35591245
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1nn(C)c(C)c1Br
InChIInChI=1S/C13H13BrFN3O/c1-7-6-9(15)4-5-10(7)16-13(19)12-11(14)8(2)18(3)17-12/h4-6H,1-3H3,(H,16,19)
InChIKeyURTWWXIRDMQCJZ-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-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880128
4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 4111029
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
N-(2,4-difluorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389134
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 26239940
4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266958
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 35591245) is 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(F)ccc1NC(=O)c1nn(C)c(C)c1Br.
What is the InChIKey of 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is URTWWXIRDMQCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-7-6-9(15)4-5-10(7)16-13(19)12-11(14)8(2)18(3)17-12/h4-6H,1-3H3,(H,16,19).
What are the key properties of 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-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 4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 35591245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).