W1Y

N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine

Created:	2020-09-24
Last modified:	2021-01-13

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4 entries where W1Y 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 W1Y

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Chemical Component Summary
Name	N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-1-(1-phenylpyrazol-4-yl)methanamine
Formula	C₁₁ H₁₃ N₃
Molecular Weight	187.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1n(cc(CNC)c1)c2ccccc2
SMILES	CACTVS	3.385	CNCc1cnn(c1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CNCc1cnn(c1)c2ccccc2
Canonical SMILES	CACTVS	3.385	CNCc1cnn(c1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNCc1cnn(c1)c2ccccc2
InChI	InChI	1.03	InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3
InChIKey	InChI	1.03	SZXULAAYIBSASF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7131170

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