RPJ

1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid

Created:	2020-02-20
Last modified:	2020-07-15

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1 entries where RPJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	21

2D diagram of RPJ

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Chemical Component Summary
Name	1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-(4-fluorophenyl)-5-[3-(1~{H}-indol-3-yl)propoxy]pyrazole-4-carboxylic acid
Formula	C₂₁ H₁₈ F N₃ O₃
Molecular Weight	379.384
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4cc(n1c(c(C(O)=O)cn1)OCCCc2cnc3ccccc23)ccc4F
SMILES	CACTVS	3.385	OC(=O)c1cnn(c2ccc(F)cc2)c1OCCCc3c[nH]c4ccccc34
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1cnn(c2ccc(F)cc2)c1OCCCc3c[nH]c4ccccc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O
InChI	InChI	1.03	InChI=1S/C21H18FN3O3/c22-15-7-9-16(10-8-15)25-20(18(13-24-25)21(26)27)28-11-3-4-14-12-23-19-6-2-1-5-17(14)19/h1-2,5-10,12-13,23H,3-4,11H2,(H,26,27)
InChIKey	InChI	1.03	HECYVAQVQUQMCB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146675154

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