1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone

C13H13BrN2O2 — CID 114639397

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(Br)cnn1C
InChIInChI=1S/C13H13BrN2O2/c1-16-13(10(14)8-15-16)11(17)7-9-5-3-4-6-12(9)18-2/h3-6,8H,7H2,1-2H3
InChIKeyGLNDDIFHPRZGEU-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.62
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 114639397) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID114639397
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(Br)cnn1C
InChIInChI=1S/C13H13BrN2O2/c1-16-13(10(14)8-15-16)11(17)7-9-5-3-4-6-12(9)18-2/h3-6,8H,7H2,1-2H3
InChIKeyGLNDDIFHPRZGEU-UHFFFAOYSA-N
XLogP2.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone
CID 114639897
1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114638939
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-bromophenyl)ethanone
CID 114639902
1-(4-bromo-1-methylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638769
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114639081
1-(4-bromo-1-methylpyrazol-5-yl)-3,3-dimethylbutan-1-one
CID 114640173
1-(4-bromo-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 114639107
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639767

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone (CID 114639397) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is GLNDDIFHPRZGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-16-13(10(14)8-15-16)11(17)7-9-5-3-4-6-12(9)18-2/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 309.16 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 114639397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).