A1EFF

(2,5-dimethylpyrazol-3-yl)methanol

Created:	2024-11-08
Last modified:	2025-08-27

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1 entries where A1EFF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	5

2D diagram of A1EFF

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Chemical Component Summary
Name	(2,5-dimethylpyrazol-3-yl)methanol
Synonyms	57012-20-1
Systematic Name (OpenEye OEToolkits)	(2,5-dimethylpyrazol-3-yl)methanol
Formula	C₆ H₁₀ N₂ O
Molecular Weight	126.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1nc(C)cc1CO
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(n(n1)C)CO
Canonical SMILES	CACTVS	3.385	Cn1nc(C)cc1CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(n(n1)C)CO
InChI	InChI	1.06	InChI=1S/C6H10N2O/c1-5-3-6(4-9)8(2)7-5/h3,9H,4H2,1-2H3
InChIKey	InChI	1.06	GUJDKMVLHCJODO-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.