4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide

C15H18BrN3O — CID 3572333

IUPAC4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2nn(C)cc2Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-4-10(2)11-5-7-12(8-6-11)17-15(20)14-13(16)9-19(3)18-14/h5-10H,4H2,1-3H3,(H,17,20)
InChIKeyZEFRNYUQEZGELG-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.95
Rot. Bonds4

About 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 3572333) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID3572333
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2nn(C)cc2Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-4-10(2)11-5-7-12(8-6-11)17-15(20)14-13(16)9-19(3)18-14/h5-10H,4H2,1-3H3,(H,17,20)
InChIKeyZEFRNYUQEZGELG-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 19262770
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 659584
4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262698
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19496540
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
4-bromo-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19262736

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide (CID 3572333) is 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide is CCC(C)c1ccc(NC(=O)c2nn(C)cc2Br)cc1.
What is the InChIKey of 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is ZEFRNYUQEZGELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-10(2)11-5-7-12(8-6-11)17-15(20)14-13(16)9-19(3)18-14/h5-10H,4H2,1-3H3,(H,17,20).
What are the key properties of 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 3572333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).