(5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone

C10H9BrN2O2 — CID 673592

IUPAC(5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C10H9BrN2O2/c1-6-5-7(2)13(12-6)10(14)8-3-4-9(11)15-8/h3-5H,1-2H3
InChIKeyZTNBSWJPTIRKQR-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.54
Rot. Bonds1

About (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone

(5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 673592) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID673592
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name(5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C10H9BrN2O2/c1-6-5-7(2)13(12-6)10(14)8-3-4-9(11)15-8/h3-5H,1-2H3
InChIKeyZTNBSWJPTIRKQR-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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Related Compounds

5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
5-bromo-N'-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]furan-2-carbohydrazide
CID 6880083
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
CID 672849
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894
N-[(1,3-dimethylpyrazol-4-yl)methyl](5-bromo(2-furyl))carboxamide
CID 660918
4-[(4-bromophenyl)thio]-1-(2-furoyl)-3,5-dimethyl-1H-pyrazole
CID 979812
N-(3-bromophenyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
CID 5063817
5-bromo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)furan-2-carboxamide
CID 4770337
Benzotriazol-1-yl-(5-bromofuran-2-yl)methanone
CID 871570

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 673592) is (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2ccc(Br)o2)n1.
What is the InChIKey of (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is ZTNBSWJPTIRKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-6-5-7(2)13(12-6)10(14)8-3-4-9(11)15-8/h3-5H,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
(5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-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 (5-bromofuran-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 673592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).