5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide

C11H12BrN3O2 — CID 4770337

IUPAC5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H12BrN3O2/c1-6-10(7(2)15(3)14-6)13-11(16)8-4-5-9(12)17-8/h4-5H,1-3H3,(H,13,16)
InChIKeyOGSYZHQHIOFWCF-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.64
Rot. Bonds2

About 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide

5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 4770337) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
PubChem CID4770337
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H12BrN3O2/c1-6-10(7(2)15(3)14-6)13-11(16)8-4-5-9(12)17-8/h4-5H,1-3H3,(H,13,16)
InChIKeyOGSYZHQHIOFWCF-UHFFFAOYSA-N
XLogP2.64
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide (CID 4770337) is 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is OGSYZHQHIOFWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-6-10(7(2)15(3)14-6)13-11(16)8-4-5-9(12)17-8/h4-5H,1-3H3,(H,13,16).
What are the key properties of 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 4770337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).