3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid

C9H13FN2O2 — CID 115021924

IUPAC3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid
SMILESCCCn1ncc(CCC(=O)O)c1F
InChIInChI=1S/C9H13FN2O2/c1-2-5-12-9(10)7(6-11-12)3-4-8(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyZCJFRLFIPPMXJR-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.45
Rot. Bonds5

About 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid

3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid (PubChem CID 115021924) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid
PubChem CID115021924
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid
SMILESCCCn1ncc(CCC(=O)O)c1F
InChIInChI=1S/C9H13FN2O2/c1-2-5-12-9(10)7(6-11-12)3-4-8(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyZCJFRLFIPPMXJR-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid (CID 115021924) is 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid is CCCn1ncc(CCC(=O)O)c1F.
What is the InChIKey of 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid?
The InChIKey is ZCJFRLFIPPMXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-2-5-12-9(10)7(6-11-12)3-4-8(13)14/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid?
3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid has a molecular weight of 200.21 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-propylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 115021924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).