3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid

C12H11FN2O2 — CID 82116361

IUPAC3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-8(2-4-9)11-7-10(14-15-11)5-6-12(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyCTRRQLVCIPVDDC-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.23
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid

3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid (PubChem CID 82116361) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
PubChem CID82116361
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-8(2-4-9)11-7-10(14-15-11)5-6-12(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyCTRRQLVCIPVDDC-UHFFFAOYSA-N
XLogP2.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrazole-5-carboxylic acid, 3-phenyl-
CID 121025
5-phenethyl-1H-pyrazole-3-carboxylic Acid
CID 11830866
3-benzyl-1H-pyrazole-5-carboxylic acid
CID 11041813
3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 940540
Tryptazan, (S)-
CID 3246003
4-(4-Fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 71457071
3-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 1085886
5-(3-Phenyl-propyl)-1H-pyrazole-3-carboxylic acid
CID 11746440
4-(3-Fluorobenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CID 71458931
3-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82123972
Tryptazan
CID 95318
5-(3-Fluorobenzyl)-1H-pyrazole-3-carboxylic acid
CID 11557600

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid (CID 82116361) is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid is O=C(O)CCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
The InChIKey is CTRRQLVCIPVDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-9-3-1-8(2-4-9)11-7-10(14-15-11)5-6-12(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid has a molecular weight of 234.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid is sourced from PubChem (CID 82116361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).