9UM

3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

Created:	2017-06-10
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	0

2D diagram of 9UM

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Chemical Component Summary
Name	3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
Systematic Name (OpenEye OEToolkits)	7-(bromomethyl)-1,2,6-trimethyl-pyrazolo[1,2-a]pyrazole-3,5-dione
Formula	C₁₀ H₁₁ Br N₂ O₂
Molecular Weight	271.111
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(=O)C(C)=C(C)N2C(=C(C(=O)N12)C)CBr
SMILES	CACTVS	3.385	CC1=C(C)C(=O)N2N1C(=C(C)C2=O)CBr
SMILES	OpenEye OEToolkits	2.0.6	CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C
Canonical SMILES	CACTVS	3.385	CC1=C(C)C(=O)N2N1C(=C(C)C2=O)CBr
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C
InChI	InChI	1.03	InChI=1S/C10H11BrN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3
InChIKey	InChI	1.03	AHEWZZJEDQVLOP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	114810
ChEMBL	CHEMBL1649730
ChEBI	CHEBI:62825

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