A1AXL
(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol
Created: | 2024-07-11 |
Last modified: | 2025-03-26 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | (5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol |
Systematic Name (OpenEye OEToolkits) | (5-methyl-1-phenyl-pyrazol-4-yl)methanol |
Formula | C11 H12 N2 O |
Molecular Weight | 188.226 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1c(cnn1c1ccccc1)CO |
SMILES | CACTVS | 3.385 | Cc1n(ncc1CO)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cnn1c2ccccc2)CO |
Canonical SMILES | CACTVS | 3.385 | Cc1n(ncc1CO)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cnn1c2ccccc2)CO |
InChI | InChI | 1.06 | InChI=1S/C11H12N2O/c1-9-10(8-14)7-12-13(9)11-5-3-2-4-6-11/h2-7,14H,8H2,1H3 |
InChIKey | InChI | 1.06 | JTNWKZVHKLAHTN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2776440 |
ChEMBL | CHEMBL4208586 |