5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide

C12H14BrN3O2 — CID 154739161

IUPAC5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide
SMILESCCc1[nH]nc(NC(=O)c2oc(Br)cc2C)c1C
InChIInChI=1S/C12H14BrN3O2/c1-4-8-7(3)11(16-15-8)14-12(17)10-6(2)5-9(13)18-10/h5H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyRZDKDLAILAMTTA-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.20
Rot. Bonds3

About 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide

5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide (PubChem CID 154739161) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide
PubChem CID154739161
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide
SMILESCCc1[nH]nc(NC(=O)c2oc(Br)cc2C)c1C
InChIInChI=1S/C12H14BrN3O2/c1-4-8-7(3)11(16-15-8)14-12(17)10-6(2)5-9(13)18-10/h5H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyRZDKDLAILAMTTA-UHFFFAOYSA-N
XLogP3.20
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide (CID 154739161) is 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide is CCc1[nH]nc(NC(=O)c2oc(Br)cc2C)c1C.
What is the InChIKey of 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide?
The InChIKey is RZDKDLAILAMTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-4-8-7(3)11(16-15-8)14-12(17)10-6(2)5-9(13)18-10/h5H,4H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide?
5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 154739161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).