3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid

C14H15FN2O2 — CID 79440857

IUPAC3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
SMILESCc1cc(CC(C(=O)O)c2cccc(F)c2)n(C)n1
InChIInChI=1S/C14H15FN2O2/c1-9-6-12(17(2)16-9)8-13(14(18)19)10-4-3-5-11(15)7-10/h3-7,13H,8H2,1-2H3,(H,18,19)
InChIKeyBEJKKEGZZHTGRZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.28
Rot. Bonds4

About 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid

3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid (PubChem CID 79440857) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
PubChem CID79440857
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
SMILESCc1cc(CC(C(=O)O)c2cccc(F)c2)n(C)n1
InChIInChI=1S/C14H15FN2O2/c1-9-6-12(17(2)16-9)8-13(14(18)19)10-4-3-5-11(15)7-10/h3-7,13H,8H2,1-2H3,(H,18,19)
InChIKeyBEJKKEGZZHTGRZ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79441236
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440853
2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79440777
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 79439265
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650931
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid
CID 79440093
3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid
CID 104800741
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
3-(1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)propanoic acid
CID 104631531

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid (CID 79440857) is 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid is Cc1cc(CC(C(=O)O)c2cccc(F)c2)n(C)n1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid?
The InChIKey is BEJKKEGZZHTGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-6-12(17(2)16-9)8-13(14(18)19)10-4-3-5-11(15)7-10/h3-7,13H,8H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid?
3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid has a molecular weight of 262.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 79440857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).