4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide

C13H14BrN3O2 — CID 659584

IUPAC4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2nn(C)cc2Br)cc1
InChIInChI=1S/C13H14BrN3O2/c1-3-19-10-6-4-9(5-7-10)15-13(18)12-11(14)8-17(2)16-12/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyOMVNWDXGRYFYAF-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.83
Rot. Bonds4

About 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 659584) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID659584
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2nn(C)cc2Br)cc1
InChIInChI=1S/C13H14BrN3O2/c1-3-19-10-6-4-9(5-7-10)15-13(18)12-11(14)8-17(2)16-12/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyOMVNWDXGRYFYAF-UHFFFAOYSA-N
XLogP2.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3572333
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4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
CID 65353904
4-[(4-ethoxyphenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide
CID 17283559
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CID 835667
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262698
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110860027
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CID 19517134

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 659584) is 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide is CCOc1ccc(NC(=O)c2nn(C)cc2Br)cc1.
What is the InChIKey of 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is OMVNWDXGRYFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-3-19-10-6-4-9(5-7-10)15-13(18)12-11(14)8-17(2)16-12/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 659584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).