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

C6H8BrN3O — CID 843437

IUPAC4-bromo-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(N)=O)nn1C
InChIInChI=1S/C6H8BrN3O/c1-3-4(7)5(6(8)11)9-10(3)2/h1-2H3,(H2,8,11)
InChIKeyLDQNGCAUQYCYMC-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.59
Rot. Bonds1

About 4-bromo-1,5-dimethylpyrazole-3-carboxamide

4-bromo-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 843437) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 4-bromo-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethylpyrazole-3-carboxamide
PubChem CID843437
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name4-bromo-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(N)=O)nn1C
InChIInChI=1S/C6H8BrN3O/c1-3-4(7)5(6(8)11)9-10(3)2/h1-2H3,(H2,8,11)
InChIKeyLDQNGCAUQYCYMC-UHFFFAOYSA-N
XLogP0.59
TPSA60.91 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1,5-dimethylpyrazole-3-carboxamide (CID 843437) is 4-bromo-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Br)c(C(N)=O)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is LDQNGCAUQYCYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-3-4(7)5(6(8)11)9-10(3)2/h1-2H3,(H2,8,11).
What are the key properties of 4-bromo-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 218.05 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 843437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).