5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide

C6H8BrN3O — CID 130842150

IUPAC5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C6H8BrN3O/c1-10(2)6(11)4-3-5(7)9-8-4/h3H,1-2H3,(H,8,9)
InChIKeyVFVABSFNPWJKPM-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.87
Rot. Bonds1

About 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide

5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 130842150) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID130842150
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C6H8BrN3O/c1-10(2)6(11)4-3-5(7)9-8-4/h3H,1-2H3,(H,8,9)
InChIKeyVFVABSFNPWJKPM-UHFFFAOYSA-N
XLogP0.87
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2H-pyrazole-3-carboxylic acid methylamide
CID 76963830
US10022354, Example 205
CID 121271035
Cyclaniliprole metabolite (YT-1327)
CID 165363159
3-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 64523621
5-bromo-N-ethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 125421730
5-bromo-N-ethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 125421731
5-bromo-N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 126821298
5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide
CID 154869419
[(2R)-4-(5-bromo-1H-pyrazole-3-carbonyl)-2-methylpiperazin-1-yl]-(5-fluoro-1H-pyrazol-3-yl)methanone
CID 166368671
N,N-Dimethyl-1H-pyrazole-3-carboxamide
CID 18459141
N,N,5-Trimethyl-1H-pyrazole-3-carboxamide
CID 45074587
5-Bromo-1-methyl-1H-pyrazole-3-carboxamide
CID 89997039

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide (CID 130842150) is 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide is CN(C)C(=O)c1cc(Br)[nH]n1.
What is the InChIKey of 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is VFVABSFNPWJKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-10(2)6(11)4-3-5(7)9-8-4/h3H,1-2H3,(H,8,9).
What are the key properties of 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide?
5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 218.05 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 130842150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).