(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone

C9H7BrN2O2 — CID 114972567

IUPAC(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccc(Br)o1
InChIInChI=1S/C9H7BrN2O2/c1-12-6(4-5-11-12)9(13)7-2-3-8(10)14-7/h2-5H,1H3
InChIKeyMCUIYCQIPLPFDW-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.01
Rot. Bonds2

About (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone

(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 114972567) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID114972567
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccc(Br)o1
InChIInChI=1S/C9H7BrN2O2/c1-12-6(4-5-11-12)9(13)7-2-3-8(10)14-7/h2-5H,1H3
InChIKeyMCUIYCQIPLPFDW-UHFFFAOYSA-N
XLogP2.01
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972553
(5-bromofuran-2-yl)-(2,3-dimethylimidazol-4-yl)methanone
CID 130519243
2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 130964771
(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone
CID 115802309
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 106464340
(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
CID 63960953
(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
CID 114964392
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 105132324
(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone
CID 107944480
1-(5-bromofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965218
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone (CID 114972567) is (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is MCUIYCQIPLPFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-12-6(4-5-11-12)9(13)7-2-3-8(10)14-7/h2-5H,1H3.
What are the key properties of (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone?
(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 255.07 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).