5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide

C12H12BrN3O — CID 135267865

IUPAC5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Br)cc2)n(C)n1
InChIInChI=1S/C12H12BrN3O/c1-14-12(17)10-7-11(16(2)15-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,17)
InChIKeyBSDWJMMYOAPGIV-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.21
Rot. Bonds2

About 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide

5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 135267865) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide
PubChem CID135267865
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Br)cc2)n(C)n1
InChIInChI=1S/C12H12BrN3O/c1-14-12(17)10-7-11(16(2)15-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,17)
InChIKeyBSDWJMMYOAPGIV-UHFFFAOYSA-N
XLogP2.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
CID 91872233
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CID 110299551
N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
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N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 110615690
N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110615090
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
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N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
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CID 110299582

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide (CID 135267865) is 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1cc(-c2ccc(Br)cc2)n(C)n1.
What is the InChIKey of 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is BSDWJMMYOAPGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-14-12(17)10-7-11(16(2)15-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,17).
What are the key properties of 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide?
5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 135267865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).