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

C10H10BrN3O2 — CID 841553

IUPAC5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H10BrN3O2/c1-6-7(5-14(2)13-6)12-10(15)8-3-4-9(11)16-8/h3-5H,1-2H3,(H,12,15)
InChIKeyLOIHBBMEHLVPQM-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.34
Rot. Bonds2

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

5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 841553) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide
PubChem CID841553
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H10BrN3O2/c1-6-7(5-14(2)13-6)12-10(15)8-3-4-9(11)16-8/h3-5H,1-2H3,(H,12,15)
InChIKeyLOIHBBMEHLVPQM-UHFFFAOYSA-N
XLogP2.34
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide (CID 841553) is 5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide is Cc1nn(C)cc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is LOIHBBMEHLVPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-6-7(5-14(2)13-6)12-10(15)8-3-4-9(11)16-8/h3-5H,1-2H3,(H,12,15).
What are the key properties of 5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide?
5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 284.11 g/mol, XLogP of 2.34, 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-dimethylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 841553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).