(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone

C12H11BrN2O2 — CID 114972670

IUPAC(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccnn2C)cc1Br
InChIInChI=1S/C12H11BrN2O2/c1-15-10(5-6-14-15)12(16)8-3-4-11(17-2)9(13)7-8/h3-7H,1-2H3
InChIKeyPBSMKSQSOJEWRS-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.42
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone

(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 114972670) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
PubChem CID114972670
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccnn2C)cc1Br
InChIInChI=1S/C12H11BrN2O2/c1-15-10(5-6-14-15)12(16)8-3-4-11(17-2)9(13)7-8/h3-7H,1-2H3
InChIKeyPBSMKSQSOJEWRS-UHFFFAOYSA-N
XLogP2.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972656
N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 86801789
2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 82123910
(4-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 63960955
(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 63750525
2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
CID 116924423
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 115806182
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
1-(3-bromo-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965317
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone (CID 114972670) is (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone is COc1ccc(C(=O)c2ccnn2C)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is PBSMKSQSOJEWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-15-10(5-6-14-15)12(16)8-3-4-11(17-2)9(13)7-8/h3-7H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone?
(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 295.14 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).