(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone

C13H13BrN2O2 — CID 112742469

IUPAC(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone
SMILESCOc1ccc(Br)cc1C(=O)c1c(C)cnn1C
InChIInChI=1S/C13H13BrN2O2/c1-8-7-15-16(2)12(8)13(17)10-6-9(14)4-5-11(10)18-3/h4-7H,1-3H3
InChIKeyCOHCSXPOYNMLDY-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.73
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone

(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone (PubChem CID 112742469) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone
PubChem CID112742469
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone
SMILESCOc1ccc(Br)cc1C(=O)c1c(C)cnn1C
InChIInChI=1S/C13H13BrN2O2/c1-8-7-15-16(2)12(8)13(17)10-6-9(14)4-5-11(10)18-3/h4-7H,1-3H3
InChIKeyCOHCSXPOYNMLDY-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107944797
(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641952
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
(5-bromo-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 112742131
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
1-(5-bromo-2-methoxyphenyl)propane-1,2-dione
CID 82132285

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone (CID 112742469) is (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone is COc1ccc(Br)cc1C(=O)c1c(C)cnn1C.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone?
The InChIKey is COHCSXPOYNMLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-7-15-16(2)12(8)13(17)10-6-9(14)4-5-11(10)18-3/h4-7H,1-3H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone?
(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone has a molecular weight of 309.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone is sourced from PubChem (CID 112742469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).