(4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone

C13H12BrClN2O2 — CID 598209

IUPAC(4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)n1nc(C)c(Br)c1C
InChIInChI=1S/C13H12BrClN2O2/c1-7-12(14)8(2)17(16-7)13(18)10-6-9(15)4-5-11(10)19-3/h4-6H,1-3H3
InChIKeyJZQLQKIWKHKHHY-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.61
Rot. Bonds2

About (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone

(4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 598209) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone
PubChem CID598209
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)n1nc(C)c(Br)c1C
InChIInChI=1S/C13H12BrClN2O2/c1-7-12(14)8(2)17(16-7)13(18)10-6-9(15)4-5-11(10)19-3/h4-6H,1-3H3
InChIKeyJZQLQKIWKHKHHY-UHFFFAOYSA-N
XLogP3.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)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)-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone (CID 598209) is (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)n1nc(C)c(Br)c1C.
What is the InChIKey of (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is JZQLQKIWKHKHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-7-12(14)8(2)17(16-7)13(18)10-6-9(15)4-5-11(10)19-3/h4-6H,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone?
(4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 343.61 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 598209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).