6P0

5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole

Created:	2016-05-17
Last modified:	2016-09-07

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1 entries where 6P0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	16

2D diagram of 6P0

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Chemical Component Summary
Name	5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole
Systematic Name (OpenEye OEToolkits)	4-[3-[1-(4-methoxyphenyl)cyclopropyl]-1~{H}-pyrazol-5-yl]-1,3-dimethyl-pyrazole
Formula	C₁₈ H₂₀ N₄ O
Molecular Weight	308.378
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1C(C1)(c3cc(c2cn(nc2C)C)nn3)c4ccc(cc4)OC
SMILES	CACTVS	3.385	COc1ccc(cc1)C2(CC2)c3cc([nH]n3)c4cn(C)nc4C
SMILES	OpenEye OEToolkits	2.0.4	Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)C2(CC2)c3cc([nH]n3)c4cn(C)nc4C
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC
InChI	InChI	1.03	InChI=1S/C18H20N4O/c1-12-15(11-22(2)21-12)16-10-17(20-19-16)18(8-9-18)13-4-6-14(23-3)7-5-13/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKey	InChI	1.03	ZLBUFDZQBDNLRH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	121595987

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