WVI

3-METHYL-4-(THIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE

Created:	2012-10-05
Last modified:	2014-09-05

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1 entries where WVI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	10

2D diagram of WVI

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Chemical Component Summary
Name	3-METHYL-4-(THIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE
Systematic Name (OpenEye OEToolkits)	3-methyl-4-thiophen-2-yl-1H-pyrazol-5-amine
Formula	C₈ H₉ N₃ S
Molecular Weight	179.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1nc(c(c1C)c2sccc2)N
SMILES	CACTVS	3.385	Cc1n[nH]c(N)c1c2sccc2
SMILES	OpenEye OEToolkits	1.9.2	Cc1c(c([nH]n1)N)c2cccs2
Canonical SMILES	CACTVS	3.385	Cc1n[nH]c(N)c1c2sccc2
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1c(c([nH]n1)N)c2cccs2
InChI	InChI	1.03	InChI=1S/C8H9N3S/c1-5-7(8(9)11-10-5)6-3-2-4-12-6/h2-4H,1H3,(H3,9,10,11)
InChIKey	InChI	1.03	LTNSHOVGLDMJRU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3815550

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.