2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone

C15H15BrN4O — CID 103124833

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone
SMILESCc1nn(C)c(CC(=O)c2nn(C)c3ccccc23)c1Br
InChIInChI=1S/C15H15BrN4O/c1-9-14(16)12(20(3)17-9)8-13(21)15-10-6-4-5-7-11(10)19(2)18-15/h4-7H,8H2,1-3H3
InChIKeyMMBTYQPOHUOGFX-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone (PubChem CID 103124833) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone
PubChem CID103124833
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone
SMILESCc1nn(C)c(CC(=O)c2nn(C)c3ccccc23)c1Br
InChIInChI=1S/C15H15BrN4O/c1-9-14(16)12(20(3)17-9)8-13(21)15-10-6-4-5-7-11(10)19(2)18-15/h4-7H,8H2,1-3H3
InChIKeyMMBTYQPOHUOGFX-UHFFFAOYSA-N
XLogP2.80
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
CID 103123957
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124830
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 103124107
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114982037
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
1-(1-methylindazol-3-yl)pent-3-yn-1-one
CID 103124096
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105110721
(1R)-1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-phenylpropan-2-one
CID 104891130

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone (CID 103124833) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone is Cc1nn(C)c(CC(=O)c2nn(C)c3ccccc23)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone?
The InChIKey is MMBTYQPOHUOGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-9-14(16)12(20(3)17-9)8-13(21)15-10-6-4-5-7-11(10)19(2)18-15/h4-7H,8H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone has a molecular weight of 347.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 103124833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).