1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid

C11H8ClFN2O2 — CID 105421466

IUPAC1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1cccc(Cl)c1F
InChIInChI=1S/C11H8ClFN2O2/c1-6-5-8(11(16)17)14-15(6)9-4-2-3-7(12)10(9)13/h2-5H,1H3,(H,16,17)
InChIKeyWFXOUCOJUURDLS-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.67
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid

1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 105421466) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID105421466
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1cccc(Cl)c1F
InChIInChI=1S/C11H8ClFN2O2/c1-6-5-8(11(16)17)14-15(6)9-4-2-3-7(12)10(9)13/h2-5H,1H3,(H,16,17)
InChIKeyWFXOUCOJUURDLS-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
CID 71255447
1-(3-chloro-2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 28968682
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421480
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-(4-bromo-3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 107613689
5-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 107645273
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421473
1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421500
1-(2-bromo-4-methylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82094448

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid (CID 105421466) is 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1-c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is WFXOUCOJUURDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-6-5-8(11(16)17)14-15(6)9-4-2-3-7(12)10(9)13/h2-5H,1H3,(H,16,17).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid?
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 254.65 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105421466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).