4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide

C13H13BrFN3O — CID 3239332

IUPAC4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C13H13BrFN3O/c1-3-18-12(9(14)7-16-18)13(19)17-11-6-8(2)4-5-10(11)15/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyZHMCNRYNPJPSQY-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.37
Rot. Bonds3

About 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide (PubChem CID 3239332) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide
PubChem CID3239332
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C13H13BrFN3O/c1-3-18-12(9(14)7-16-18)13(19)17-11-6-8(2)4-5-10(11)15/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyZHMCNRYNPJPSQY-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891679
N-(2,3-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084338
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 3299137
2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide
CID 3091786
4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 755380
N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 832004
4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892592
Benzamide, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)-
CID 993965
N-(2,4-dibromophenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1009261

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide (CID 3239332) is 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1cc(C)ccc1F.
What is the InChIKey of 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is ZHMCNRYNPJPSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-3-18-12(9(14)7-16-18)13(19)17-11-6-8(2)4-5-10(11)15/h4-7H,3H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 326.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3239332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).