3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid

C14H15FN2O2 — CID 105423824

IUPAC3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1c(-c2ccccc2F)cnn1C)C(=O)O
InChIInChI=1S/C14H15FN2O2/c1-9(14(18)19)7-13-11(8-16-17(13)2)10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyLZQVGQXLQZDXPF-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.49
Rot. Bonds4

About 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid

3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid (PubChem CID 105423824) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
PubChem CID105423824
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1c(-c2ccccc2F)cnn1C)C(=O)O
InChIInChI=1S/C14H15FN2O2/c1-9(14(18)19)7-13-11(8-16-17(13)2)10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyLZQVGQXLQZDXPF-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid (CID 105423824) is 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid is CC(Cc1c(-c2ccccc2F)cnn1C)C(=O)O.
What is the InChIKey of 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid?
The InChIKey is LZQVGQXLQZDXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(14(18)19)7-13-11(8-16-17(13)2)10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid?
3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid has a molecular weight of 262.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 105423824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).