A1ISY

5-methyl-4-phenyl-1H-pyrazol-3-amine

Created:	2024-10-28
Last modified:	2025-03-12

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1 entries where A1ISY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of A1ISY

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Chemical Component Summary
Name	5-methyl-4-phenyl-1H-pyrazol-3-amine
Systematic Name (OpenEye OEToolkits)	5-methyl-4-phenyl-1~{H}-pyrazol-3-amine
Formula	C₁₀ H₁₁ N₃
Molecular Weight	173.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]nc(N)c1c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(n[nH]1)N)c2ccccc2
Canonical SMILES	CACTVS	3.385	Cc1[nH]nc(N)c1c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(n[nH]1)N)c2ccccc2
InChI	InChI	1.06	InChI=1S/C10H11N3/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13)
InChIKey	InChI	1.06	UMDNRKCXSUJMCY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	599501
ChEMBL	CHEMBL1609052

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.