JH7

1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one

Created:	2018-09-10
Last modified:	2018-10-10

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3 entries where JH7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of JH7

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Chemical Component Summary
Name	1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one
Systematic Name (OpenEye OEToolkits)	2-methyl-3-phenylazanyl-1~{H}-pyrazol-5-one
Formula	C₁₀ H₁₁ N₃ O
Molecular Weight	189.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c(NC=1N(C)NC(C=1)=O)cccc2
SMILES	CACTVS	3.385	CN1NC(=O)C=C1Nc2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	CN1C(=CC(=O)N1)Nc2ccccc2
Canonical SMILES	CACTVS	3.385	CN1NC(=O)C=C1Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1C(=CC(=O)N1)Nc2ccccc2
InChI	InChI	1.03	InChI=1S/C10H11N3O/c1-13-9(7-10(14)12-13)11-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,12,14)
InChIKey	InChI	1.03	JAPKWXYUAJYHCE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2818508

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