[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone

C15H17BrN2O2 — CID 115805999

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone
SMILESCOCCn1ncc(Br)c1C(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H17BrN2O2/c1-10-4-5-11(2)12(8-10)15(19)14-13(16)9-17-18(14)6-7-20-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYEVCFRLYRBUSLA-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.14
Rot. Bonds5

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone (PubChem CID 115805999) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone
PubChem CID115805999
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone
SMILESCOCCn1ncc(Br)c1C(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H17BrN2O2/c1-10-4-5-11(2)12(8-10)15(19)14-13(16)9-17-18(14)6-7-20-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYEVCFRLYRBUSLA-UHFFFAOYSA-N
XLogP3.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 115806108
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methanone
CID 115806110
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115806088
(4-bromo-2-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114905769
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 115806034
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-difluorophenyl)methanone
CID 115805972
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 105131081
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 114640120
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol
CID 114633798
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 115806182
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125389

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone (CID 115805999) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone is COCCn1ncc(Br)c1C(=O)c1cc(C)ccc1C.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone?
The InChIKey is YEVCFRLYRBUSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-4-5-11(2)12(8-10)15(19)14-13(16)9-17-18(14)6-7-20-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone has a molecular weight of 337.22 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115805999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).