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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Related Compounds

3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423932
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130
2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 102547350
2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423713
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
CID 117399352
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117362627
2-[1-methyl-4-(3-propan-2-ylphenyl)pyrazol-5-yl]acetic acid
CID 167863116
3-(3,4-difluoro-5-phenylphenyl)-2-methylpropanoic acid
CID 117442171
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid
CID 105464311

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).