9W5

5-methyl-2-(phenylmethyl)pyrazol-3-amine

Created:	2017-07-19
Last modified:	2018-02-14

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1 entries where 9W5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	11

2D diagram of 9W5

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Chemical Component Summary
Name	5-methyl-2-(phenylmethyl)pyrazol-3-amine
Systematic Name (OpenEye OEToolkits)	5-methyl-2-(phenylmethyl)pyrazol-3-amine
Formula	C₁₁ H₁₃ N₃
Molecular Weight	187.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(N)n(Cc2ccccc2)n1
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(n(n1)Cc2ccccc2)N
Canonical SMILES	CACTVS	3.385	Cc1cc(N)n(Cc2ccccc2)n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(n(n1)Cc2ccccc2)N
InChI	InChI	1.03	InChI=1S/C11H13N3/c1-9-7-11(12)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8,12H2,1H3
InChIKey	InChI	1.03	WRHZMJSDCJXWDL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	769146

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.