913

(3-PYRAZOL-1-YLPHENYL)METHANAMINE

Created:	2011-12-08
Last modified:	2020-06-05

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1 entries where 913 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 913

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Chemical Component Summary
Name	(3-PYRAZOL-1-YLPHENYL)METHANAMINE
Synonyms	FRAGMENT CC32913
Systematic Name (OpenEye OEToolkits)	(3-pyrazol-1-ylphenyl)methanamine
Formula	C₁₀ H₁₁ N₃
Molecular Weight	173.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cccn1c2cccc(c2)CN
SMILES	CACTVS	3.385	NCc1cccc(c1)n2cccn2
SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)n2cccn2)CN
Canonical SMILES	CACTVS	3.385	NCc1cccc(c1)n2cccn2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)n2cccn2)CN
InChI	InChI	1.03	InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2
InChIKey	InChI	1.03	YWZKZHCZKIKAAC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	730097
ChEMBL	CHEMBL1622853

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