N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide

C12H12BrFN4O — CID 107948865

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide
SMILESCc1nn(C)c(NC(=O)c2cccc(Br)c2F)c1N
InChIInChI=1S/C12H12BrFN4O/c1-6-10(15)11(18(2)17-6)16-12(19)7-4-3-5-8(13)9(7)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyHUGOGZGEUJNPRA-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.46
Rot. Bonds2

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide (PubChem CID 107948865) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide
PubChem CID107948865
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide
SMILESCc1nn(C)c(NC(=O)c2cccc(Br)c2F)c1N
InChIInChI=1S/C12H12BrFN4O/c1-6-10(15)11(18(2)17-6)16-12(19)7-4-3-5-8(13)9(7)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyHUGOGZGEUJNPRA-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-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107596248
N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948807
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 107953731
2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide
CID 154196668
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107959513
N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948735
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide
CID 107702247
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide (CID 107948865) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide is Cc1nn(C)c(NC(=O)c2cccc(Br)c2F)c1N.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide?
The InChIKey is HUGOGZGEUJNPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c1-6-10(15)11(18(2)17-6)16-12(19)7-4-3-5-8(13)9(7)14/h3-5H,15H2,1-2H3,(H,16,19).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide 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 N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107948865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).