A1IBW

[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol

Created:	2024-05-20
Last modified:	2025-05-28

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2 entries where A1IBW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	11

2D diagram of A1IBW

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Chemical Component Summary
Name	[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol
Systematic Name (OpenEye OEToolkits)	[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol
Formula	C₁₂ H₁₁ F₃ N₂ O
Molecular Weight	256.224
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1nc(cc1c2ccccc2CO)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cn1c(cc(n1)C(F)(F)F)c2ccccc2CO
Canonical SMILES	CACTVS	3.385	Cn1nc(cc1c2ccccc2CO)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cn1c(cc(n1)C(F)(F)F)c2ccccc2CO
InChI	InChI	1.06	InChI=1S/C12H11F3N2O/c1-17-10(6-11(16-17)12(13,14)15)9-5-3-2-4-8(9)7-18/h2-6,18H,7H2,1H3
InChIKey	InChI	1.06	HLMRFDCLSUXVQC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	24229659
ChEBI	CHEBI:194878

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