5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid

C12H11FN2O3 — CID 136998100

IUPAC5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)nn2C)c(O)c1F
InChIInChI=1S/C12H11FN2O3/c1-6-3-4-7(11(16)10(6)13)9-5-8(12(17)18)14-15(9)2/h3-5,16H,1-2H3,(H,17,18)
InChIKeyQZHSBXKLAIINIM-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.94
Rot. Bonds2

About 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid

5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 136998100) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID136998100
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)nn2C)c(O)c1F
InChIInChI=1S/C12H11FN2O3/c1-6-3-4-7(11(16)10(6)13)9-5-8(12(17)18)14-15(9)2/h3-5,16H,1-2H3,(H,17,18)
InChIKeyQZHSBXKLAIINIM-UHFFFAOYSA-N
XLogP1.94
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-difluoro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117383215
5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117420559
5-(4,5-difluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136942334
1-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)pyrazole-3-carboxylic acid
CID 117394178
5-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117474692
5-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117373140
5-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-1-methylpyrazole-3-carboxylic acid
CID 135547041
5-(2-hydroxy-3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136932005
5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 62268890
1-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 115111505
5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 136968295
5-[2-hydroxy-3-methoxy-4-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 136995053

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid (CID 136998100) is 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)nn2C)c(O)c1F.
What is the InChIKey of 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is QZHSBXKLAIINIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-6-3-4-7(11(16)10(6)13)9-5-8(12(17)18)14-15(9)2/h3-5,16H,1-2H3,(H,17,18).
What are the key properties of 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 136998100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).