5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one

C15H15BrN2O2 — CID 107684192

IUPAC5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
SMILESCc1nn(C)c(COc2ccc3c(c2)CCC3=O)c1Br
InChIInChI=1S/C15H15BrN2O2/c1-9-15(16)13(18(2)17-9)8-20-11-4-5-12-10(7-11)3-6-14(12)19/h4-5,7H,3,6,8H2,1-2H3
InChIKeyKNNOLJHKDJRVDL-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.20
Rot. Bonds3

About 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one

5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 107684192) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
PubChem CID107684192
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
SMILESCc1nn(C)c(COc2ccc3c(c2)CCC3=O)c1Br
InChIInChI=1S/C15H15BrN2O2/c1-9-15(16)13(18(2)17-9)8-20-11-4-5-12-10(7-11)3-6-14(12)19/h4-5,7H,3,6,8H2,1-2H3
InChIKeyKNNOLJHKDJRVDL-UHFFFAOYSA-N
XLogP3.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684157
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2-methylaniline
CID 114252449
4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole
CID 116794058
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684074
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one
CID 115582303
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate
CID 90023726
4-amino-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]benzamide
CID 106955563
4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole
CID 116804551

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one (CID 107684192) is 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one is Cc1nn(C)c(COc2ccc3c(c2)CCC3=O)c1Br.
What is the InChIKey of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is KNNOLJHKDJRVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-15(16)13(18(2)17-9)8-20-11-4-5-12-10(7-11)3-6-14(12)19/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one?
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 335.20 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 107684192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).