1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid

C11H9FN2O2 — CID 28974093

IUPAC1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1ccc(-n2ccc(C(=O)O)n2)c(F)c1
InChIInChI=1S/C11H9FN2O2/c1-7-2-3-10(8(12)6-7)14-5-4-9(13-14)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyYKYHOYUXURDDHY-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid

1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid (PubChem CID 28974093) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid
PubChem CID28974093
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1ccc(-n2ccc(C(=O)O)n2)c(F)c1
InChIInChI=1S/C11H9FN2O2/c1-7-2-3-10(8(12)6-7)14-5-4-9(13-14)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyYKYHOYUXURDDHY-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid (CID 28974093) is 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid is Cc1ccc(-n2ccc(C(=O)O)n2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is YKYHOYUXURDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-2-3-10(8(12)6-7)14-5-4-9(13-14)11(15)16/h2-6H,1H3,(H,15,16).
What are the key properties of 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid?
1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 28974093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).