1FF

1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid

Created:	2013-01-15
Last modified:	2013-02-01

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2 entries where 1FF 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	11

2D diagram of 1FF

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Chemical Component Summary
Name	1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-methyl-5-phenyl-pyrazole-4-carboxylic acid
Formula	C₁₁ H₁₀ N₂ O₂
Molecular Weight	202.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c2c(c1ccccc1)n(nc2)C
SMILES	CACTVS	3.370	Cn1ncc(C(O)=O)c1c2ccccc2
SMILES	OpenEye OEToolkits	1.7.6	Cn1c(c(cn1)C(=O)O)c2ccccc2
Canonical SMILES	CACTVS	3.370	Cn1ncc(C(O)=O)c1c2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cn1c(c(cn1)C(=O)O)c2ccccc2
InChI	InChI	1.03	InChI=1S/C11H10N2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey	InChI	1.03	MXGOKNNGBUOAGF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2795474
ChEMBL	CHEMBL2326886

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