3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid

C11H9FN2O2 — CID 83395825

IUPAC3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)[nH]n2)c1F
InChIInChI=1S/C11H9FN2O2/c1-6-3-2-4-7(10(6)12)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCFCZFLQOKFDMSX-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.22
Rot. Bonds2

About 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid

3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 83395825) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID83395825
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)[nH]n2)c1F
InChIInChI=1S/C11H9FN2O2/c1-6-3-2-4-7(10(6)12)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCFCZFLQOKFDMSX-UHFFFAOYSA-N
XLogP2.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
3-(4-carboxy-2,3-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117423812
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117378288
3-(5-carboxy-2,3-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117404379
3-(5-fluoro-2-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117383381
3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
CID 117326348
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(4-bromo-2,3,5-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111378
3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117446021
3-(2-chloro-3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117384630

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 83395825) is 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid is Cc1cccc(-c2cc(C(=O)O)[nH]n2)c1F.
What is the InChIKey of 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is CFCZFLQOKFDMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-6-3-2-4-7(10(6)12)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 83395825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).