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

C10H9BrN2O2 — CID 672849

IUPAC(4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
SMILESCc1nn(C(=O)c2ccco2)c(C)c1Br
InChIInChI=1S/C10H9BrN2O2/c1-6-9(11)7(2)13(12-6)10(14)8-4-3-5-15-8/h3-5H,1-2H3
InChIKeyZRSBKCHWRILEAV-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.54
Rot. Bonds1

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

(4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone (PubChem CID 672849) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
PubChem CID672849
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
SMILESCc1nn(C(=O)c2ccco2)c(C)c1Br
InChIInChI=1S/C10H9BrN2O2/c1-6-9(11)7(2)13(12-6)10(14)8-4-3-5-15-8/h3-5H,1-2H3
InChIKeyZRSBKCHWRILEAV-UHFFFAOYSA-N
XLogP2.54
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone (CID 672849) is (4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone is Cc1nn(C(=O)c2ccco2)c(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone?
The InChIKey is ZRSBKCHWRILEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-6-9(11)7(2)13(12-6)10(14)8-4-3-5-15-8/h3-5H,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone?
(4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone has a molecular weight of 269.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 672849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).