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

C17H14FN3O2 — CID 22953770

IUPAC3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H14FN3O2/c18-13-3-1-12(2-4-13)17-16(11-7-9-19-10-8-11)14(20-21-17)5-6-15(22)23/h1-4,7-10H,5-6H2,(H,20,21)(H,22,23)
InChIKeyLRKOMXFQXWULSU-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.30
Rot. Bonds5

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

3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid (PubChem CID 22953770) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid
PubChem CID22953770
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H14FN3O2/c18-13-3-1-12(2-4-13)17-16(11-7-9-19-10-8-11)14(20-21-17)5-6-15(22)23/h1-4,7-10H,5-6H2,(H,20,21)(H,22,23)
InChIKeyLRKOMXFQXWULSU-UHFFFAOYSA-N
XLogP3.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid (CID 22953770) is 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid is O=C(O)CCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid?
The InChIKey is LRKOMXFQXWULSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-13-3-1-12(2-4-13)17-16(11-7-9-19-10-8-11)14(20-21-17)5-6-15(22)23/h1-4,7-10H,5-6H2,(H,20,21)(H,22,23).
What are the key properties of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid?
3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid has a molecular weight of 311.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propanoic acid is sourced from PubChem (CID 22953770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).