4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide

C12H12BrFN4O — CID 107596248

IUPAC4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2c(F)cccc2Br)c1N
InChIInChI=1S/C12H12BrFN4O/c1-6-9(15)11(18(2)17-6)12(19)16-10-7(13)4-3-5-8(10)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyKWHMQAPMVIRENS-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.46
Rot. Bonds2

About 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 107596248) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID107596248
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2c(F)cccc2Br)c1N
InChIInChI=1S/C12H12BrFN4O/c1-6-9(15)11(18(2)17-6)12(19)16-10-7(13)4-3-5-8(10)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyKWHMQAPMVIRENS-UHFFFAOYSA-N
XLogP2.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027
4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123415
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774
4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
CID 66121641
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide
CID 107948865
4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide
CID 107603346
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79734496
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124523

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 107596248) is 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2c(F)cccc2Br)c1N.
What is the InChIKey of 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is KWHMQAPMVIRENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c1-6-9(15)11(18(2)17-6)12(19)16-10-7(13)4-3-5-8(10)14/h3-5H,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 327.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 107596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).