(4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone

C14H15BrN2O3 — CID 712606

IUPAC(4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)c(Br)c2C)cc1OC
InChIInChI=1S/C14H15BrN2O3/c1-8-13(15)9(2)17(16-8)14(18)10-5-6-11(19-3)12(7-10)20-4/h5-7H,1-4H3
InChIKeyNDPUDTFFDWEXRR-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.97
Rot. Bonds3

About (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone

(4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 712606) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone
PubChem CID712606
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)c(Br)c2C)cc1OC
InChIInChI=1S/C14H15BrN2O3/c1-8-13(15)9(2)17(16-8)14(18)10-5-6-11(19-3)12(7-10)20-4/h5-7H,1-4H3
InChIKeyNDPUDTFFDWEXRR-UHFFFAOYSA-N
XLogP2.97
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone (CID 712606) is (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)n2nc(C)c(Br)c2C)cc1OC.
What is the InChIKey of (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is NDPUDTFFDWEXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-8-13(15)9(2)17(16-8)14(18)10-5-6-11(19-3)12(7-10)20-4/h5-7H,1-4H3.
What are the key properties of (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone?
(4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 339.19 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylpyrazol-1-yl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 712606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).