(3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone

C12H11BrN2O2 — CID 899202

IUPAC(3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2ccc(C)n2)cc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-5-6-15(14-8)12(16)9-3-4-11(17-2)10(13)7-9/h3-7H,1-2H3
InChIKeyIEFRDYMRUHNSSE-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.65
Rot. Bonds2

About (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone

(3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone (PubChem CID 899202) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone
PubChem CID899202
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name(3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2ccc(C)n2)cc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-5-6-15(14-8)12(16)9-3-4-11(17-2)10(13)7-9/h3-7H,1-2H3
InChIKeyIEFRDYMRUHNSSE-UHFFFAOYSA-N
XLogP2.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Bromo-3,5-dimethylpyrazol-1-yl)(4-methoxyphenyl)methanone
CID 714833
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
3-bromo-N'-((1E)-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylene)benzohydrazide
CID 46495489
(3-Bromo-4-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 833076
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-2-methoxybenzamide
CID 2225516
(4-ethoxyphenyl)(1H-pyrazol-1-yl)methanone
CID 3502430
4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332280
3-bromo-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 51123927
1-(4-methoxybenzoyl)-4-[(5-methyl-1H-pyrazol-1-yl)acetyl]piperazine
CID 70706294
(4-methoxyphenyl)(1H-pyrazol-1-yl)methanone
CID 903267
(4-Bromopyrazol-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 1978786
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzamide
CID 1239399

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone (CID 899202) is (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone is COc1ccc(C(=O)n2ccc(C)n2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone?
The InChIKey is IEFRDYMRUHNSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-5-6-15(14-8)12(16)9-3-4-11(17-2)10(13)7-9/h3-7H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone?
(3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone has a molecular weight of 295.14 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(3-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 899202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).