Q7L

(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole

Created:	2022-06-01
Last modified:	2023-02-15

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3 entries where Q7L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	11

2D diagram of Q7L

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Chemical Component Summary
Name	(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole
Systematic Name (OpenEye OEToolkits)	3-(1,3-benzodioxol-5-yl)-1~{H}-pyrazole
Formula	C₁₀ H₈ N₂ O₂
Molecular Weight	188.183
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(cc2OCOc12)c1cc[NH]n1
SMILES	CACTVS	3.385	C1Oc2ccc(cc2O1)c3cc[nH]n3
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1c3cc[nH]n3)OCO2
Canonical SMILES	CACTVS	3.385	C1Oc2ccc(cc2O1)c3cc[nH]n3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1c3cc[nH]n3)OCO2
InChI	InChI	1.03	InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)
InChIKey	InChI	1.03	LOPAFWMOCZGHFX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1477766

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