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

C14H15FN2O2 — CID 105423819

IUPAC3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
SMILESCC(Cc1nn(C)cc1-c1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H15FN2O2/c1-9(14(18)19)6-13-12(8-17(2)16-13)10-4-3-5-11(15)7-10/h3-5,7-9H,6H2,1-2H3,(H,18,19)
InChIKeyXTYFKADRIPHMLE-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.49
Rot. Bonds4

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

3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid (PubChem CID 105423819) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
PubChem CID105423819
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
SMILESCC(Cc1nn(C)cc1-c1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H15FN2O2/c1-9(14(18)19)6-13-12(8-17(2)16-13)10-4-3-5-11(15)7-10/h3-5,7-9H,6H2,1-2H3,(H,18,19)
InChIKeyXTYFKADRIPHMLE-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-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
CID 105423921
2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 105423796
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 138694042
(2R)-2-[4-(3-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034163
3-(difluoromethyl)-N-[2-fluoro-6-(3-fluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 162541328
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol
CID 69207008
3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole
CID 154672779
3-[4-bromo-5-(3-fluorophenyl)-1-methylpyrazol-3-yl]propanoic acid
CID 84607468
1-[3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]propan-1-one
CID 66008702
4-[3-(hydroxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 170457592

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid (CID 105423819) is 3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid is CC(Cc1nn(C)cc1-c1cccc(F)c1)C(=O)O.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid?
The InChIKey is XTYFKADRIPHMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(14(18)19)6-13-12(8-17(2)16-13)10-4-3-5-11(15)7-10/h3-5,7-9H,6H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid?
3-[4-(3-fluorophenyl)-1-methylpyrazol-3-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-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 105423819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).