2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid

C12H11FN2O2 — CID 105494091

IUPAC2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7(12(16)17)10-6-11(15-14-10)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyRBKVVUATQJNLOF-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.40
Rot. Bonds3

About 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid

2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid (PubChem CID 105494091) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
PubChem CID105494091
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7(12(16)17)10-6-11(15-14-10)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyRBKVVUATQJNLOF-UHFFFAOYSA-N
XLogP2.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid
CID 105469690
2-[3-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
CID 84698395
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111696
2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
CID 116971455
3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol
CID 118099844
1-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111510
2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid
CID 22769043
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
2-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]propanoic acid
CID 116975230

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
The IUPAC name of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid (CID 105494091) is 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid is CC(C(=O)O)c1cc(-c2cccc(F)c2)n[nH]1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
The InChIKey is RBKVVUATQJNLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7(12(16)17)10-6-11(15-14-10)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid has a molecular weight of 234.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid is sourced from PubChem (CID 105494091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).