4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C13H13BrF2N4O — CID 66124523

IUPAC4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2c(F)cc(F)cc2Br)c1N
InChIInChI=1S/C13H13BrF2N4O/c1-3-9-10(17)12(20(2)19-9)13(21)18-11-7(14)4-6(15)5-8(11)16/h4-5H,3,17H2,1-2H3,(H,18,21)
InChIKeyIQQYNXLHUAARDF-UHFFFAOYSA-N
MW359.17 g/mol
LogP2.86
Rot. Bonds3

About 4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66124523) has the molecular formula C13H13BrF2N4O and a molecular weight of 359.17 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66124523
Molecular FormulaC13H13BrF2N4O
Molecular Weight359.17 g/mol
Exact Mass358.02
IUPAC Name4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2c(F)cc(F)cc2Br)c1N
InChIInChI=1S/C13H13BrF2N4O/c1-3-9-10(17)12(20(2)19-9)13(21)18-11-7(14)4-6(15)5-8(11)16/h4-5H,3,17H2,1-2H3,(H,18,21)
InChIKeyIQQYNXLHUAARDF-UHFFFAOYSA-N
XLogP2.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-ethyl-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
CID 66117392
4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 82799743
4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124519
4-amino-3-ethyl-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 66124158
4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107796820
4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 116812548
4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66125685
4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107596248
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66122977
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 102803235
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66124523) is 4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2c(F)cc(F)cc2Br)c1N.
What is the InChIKey of 4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is IQQYNXLHUAARDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N4O/c1-3-9-10(17)12(20(2)19-9)13(21)18-11-7(14)4-6(15)5-8(11)16/h4-5H,3,17H2,1-2H3,(H,18,21).
What are the key properties of 4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 359.17 g/mol, XLogP of 2.86, 3 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-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66124523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).