2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid

C20H19FN2O2 — CID 139085149

IUPAC2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid
SMILESCC(C)Cc1cc(-c2ccccc2F)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C20H19FN2O2/c1-13(2)11-14-12-19(15-7-3-5-9-17(15)21)23(22-14)18-10-6-4-8-16(18)20(24)25/h3-10,12-13H,11H2,1-2H3,(H,24,25)
InChIKeyJKVKIYGGRJJSTK-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.58
Rot. Bonds5

About 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid

2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid (PubChem CID 139085149) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid
PubChem CID139085149
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid
SMILESCC(C)Cc1cc(-c2ccccc2F)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C20H19FN2O2/c1-13(2)11-14-12-19(15-7-3-5-9-17(15)21)23(22-14)18-10-6-4-8-16(18)20(24)25/h3-10,12-13H,11H2,1-2H3,(H,24,25)
InChIKeyJKVKIYGGRJJSTK-UHFFFAOYSA-N
XLogP4.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 612274
1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
2-Pyrazolylbenzoic acid
CID 4738383
4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 693206
1,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 3801066
5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 673680
4-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzoic acid
CID 891860
1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
1-(4-methylphenyl)-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2513400
1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 847409
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
3-methyl-5-(2-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2825127

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid (CID 139085149) is 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid is CC(C)Cc1cc(-c2ccccc2F)n(-c2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid?
The InChIKey is JKVKIYGGRJJSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13(2)11-14-12-19(15-7-3-5-9-17(15)21)23(22-14)18-10-6-4-8-16(18)20(24)25/h3-10,12-13H,11H2,1-2H3,(H,24,25).
What are the key properties of 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid?
2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid has a molecular weight of 338.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 139085149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).