3-bromo-N,1-dimethylpyrazole-5-carboxamide

C6H8BrN3O — CID 130611981

IUPAC3-bromo-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Br)nn1C
InChIInChI=1S/C6H8BrN3O/c1-8-6(11)4-3-5(7)9-10(4)2/h3H,1-2H3,(H,8,11)
InChIKeyATPYXAHHWIPQFB-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.54
Rot. Bonds1

About 3-bromo-N,1-dimethylpyrazole-5-carboxamide

3-bromo-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 130611981) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 3-bromo-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N,1-dimethylpyrazole-5-carboxamide
PubChem CID130611981
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name3-bromo-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Br)nn1C
InChIInChI=1S/C6H8BrN3O/c1-8-6(11)4-3-5(7)9-10(4)2/h3H,1-2H3,(H,8,11)
InChIKeyATPYXAHHWIPQFB-UHFFFAOYSA-N
XLogP0.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-2H-pyrazole-3-carboxylic acid methylamide
CID 76963830
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
3-bromo-1-methyl-1H-pyrazole-5-carbaldehyde
CID 82404839
2-bromo-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 153945182
2-bromo-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 154668289
3-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 77230979
3-bromo-N-(2-fluoroethyl)-1-methylpyrazole-5-carboxamide
CID 130658705
5-Fluoro-1-methyl-1H-pyrazole-3-carboxamide
CID 176469848
N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 17144539
N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19262656
1-Ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 19475502
N,1,3-trimethyl-1H-pyrazole-5-carboxamide
CID 19481451

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N,1-dimethylpyrazole-5-carboxamide (CID 130611981) is 3-bromo-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1cc(Br)nn1C.
What is the InChIKey of 3-bromo-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is ATPYXAHHWIPQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-8-6(11)4-3-5(7)9-10(4)2/h3H,1-2H3,(H,8,11).
What are the key properties of 3-bromo-N,1-dimethylpyrazole-5-carboxamide?
3-bromo-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 218.05 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 130611981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).