5-bromo-N-methyl-1H-pyrazole-3-carboxamide

C5H6BrN3O — CID 76963830

IUPAC5-bromo-N-methyl-1H-pyrazole-3-carboxamide
SMILESCNC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)
InChIKeyLOYJZLKXTLAMJX-UHFFFAOYSA-N
MW204.03 g/mol
LogP0.53
Rot. Bonds1

About 5-bromo-N-methyl-1H-pyrazole-3-carboxamide

5-bromo-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 76963830) has the molecular formula C5H6BrN3O and a molecular weight of 204.03 g/mol. Its IUPAC name is 5-bromo-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID76963830
Molecular FormulaC5H6BrN3O
Molecular Weight204.03 g/mol
Exact Mass202.97
IUPAC Name5-bromo-N-methyl-1H-pyrazole-3-carboxamide
SMILESCNC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)
InChIKeyLOYJZLKXTLAMJX-UHFFFAOYSA-N
XLogP0.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
US10022354, Example 205
CID 121271035
Cyclaniliprole metabolite (YT-1327)
CID 165363159
3-[(5-bromo-1H-pyrazole-3-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride
CID 166419831
5-Bromo-1-methyl-1H-pyrazole-3-carboxamide
CID 89997039
5-Bromo-1H-pyrazole-3-carboxamide
CID 92134046
5-bromo-N-oxo-1H-pyrazole-3-carboxamide
CID 130380458
3-bromo-N,1-dimethylpyrazole-5-carboxamide
CID 130611981
5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide
CID 130842150
3-Bromo-1-methyl-1H-pyrazole-5-carboxamide
CID 131039672
5-Bromo-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 135342638
3-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid hydrazide
CID 163384303

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-1H-pyrazole-3-carboxamide (CID 76963830) is 5-bromo-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-1H-pyrazole-3-carboxamide is CNC(=O)c1cc(Br)[nH]n1.
What is the InChIKey of 5-bromo-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is LOYJZLKXTLAMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9).
What are the key properties of 5-bromo-N-methyl-1H-pyrazole-3-carboxamide?
5-bromo-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 204.03 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 76963830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).