9FH

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

Created:	2017-05-16
Last modified:	2017-06-28

Find Related PDB Entry
4 entries where 9FH is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of 9FH

Toggle Hydrogen Toggle Labels

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

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1n(ncc1C(O)=O)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(cnn1c2ccccc2)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1n(ncc1C(O)=O)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(cnn1c2ccccc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKey	InChI	1.03	USSMIQWDLWJQDQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145221

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.