5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid

C11H10FN3O2 — CID 57458978

IUPAC5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)O
InChIInChI=1S/C11H10FN3O2/c1-6-9(11(16)17)10(13)15(14-6)8-4-2-7(12)3-5-8/h2-5H,13H2,1H3,(H,16,17)
InChIKeyIFSKVJKOHUWCGH-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.60
Rot. Bonds2

About 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid

5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid (PubChem CID 57458978) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
PubChem CID57458978
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)O
InChIInChI=1S/C11H10FN3O2/c1-6-9(11(16)17)10(13)15(14-6)8-4-2-7(12)3-5-8/h2-5H,13H2,1H3,(H,16,17)
InChIKeyIFSKVJKOHUWCGH-UHFFFAOYSA-N
XLogP1.60
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid (CID 57458978) is 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid is Cc1nn(-c2ccc(F)cc2)c(N)c1C(=O)O.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid?
The InChIKey is IFSKVJKOHUWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-9(11(16)17)10(13)15(14-6)8-4-2-7(12)3-5-8/h2-5H,13H2,1H3,(H,16,17).
What are the key properties of 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid?
5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 57458978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).