Z5P
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
Created: | 2012-02-07 |
Last modified: | 2014-09-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 25 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine |
Systematic Name (OpenEye OEToolkits) | (2-pyrazol-1-ylphenyl)methanamine |
Formula | C10 H11 N3 |
Molecular Weight | 173.214 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cccn1c2c(cccc2)CN |
SMILES | CACTVS | 3.385 | NCc1ccccc1n2cccn2 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)CN)n2cccn2 |
Canonical SMILES | CACTVS | 3.385 | NCc1ccccc1n2cccn2 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)CN)n2cccn2 |
InChI | InChI | 1.03 | InChI=1S/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2 |
InChIKey | InChI | 1.03 | SJMJUZRSTJBVPG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7015036 |