Q0H

4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile

Created:	2020-05-04
Last modified:	2021-05-12

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1 entries where Q0H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	17

2D diagram of Q0H

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Chemical Component Summary
Name	4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
Systematic Name (OpenEye OEToolkits)	4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
Formula	C₁₅ H₁₀ F₂ N₆
Molecular Weight	312.277
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ncnc(c2cnn(Cc3ccc(F)c(F)c3)c2)c1C#N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F
Canonical SMILES	CACTVS	3.385	Nc1ncnc(c2cnn(Cc3ccc(F)c(F)c3)c2)c1C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F
InChI	InChI	1.03	InChI=1S/C15H10F2N6/c16-12-2-1-9(3-13(12)17)6-23-7-10(5-22-23)14-11(4-18)15(19)21-8-20-14/h1-3,5,7-8H,6H2,(H2,19,20,21)
InChIKey	InChI	1.03	XIBXZPKIDAMNCF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155907509

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