3-(4-fluoropyrazol-1-yl)butanoic acid

C7H9FN2O2 — CID 171324419

IUPAC3-(4-fluoropyrazol-1-yl)butanoic acid
SMILESCC(CC(=O)O)n1cc(F)cn1
InChIInChI=1S/C7H9FN2O2/c1-5(2-7(11)12)10-4-6(8)3-9-10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyGHMBMVDTXUWRBU-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.06
Rot. Bonds3

About 3-(4-fluoropyrazol-1-yl)butanoic acid

3-(4-fluoropyrazol-1-yl)butanoic acid (PubChem CID 171324419) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 3-(4-fluoropyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-fluoropyrazol-1-yl)butanoic acid
PubChem CID171324419
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name3-(4-fluoropyrazol-1-yl)butanoic acid
SMILESCC(CC(=O)O)n1cc(F)cn1
InChIInChI=1S/C7H9FN2O2/c1-5(2-7(11)12)10-4-6(8)3-9-10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyGHMBMVDTXUWRBU-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoropyrazol-1-yl)butanoic acid?
The IUPAC name of 3-(4-fluoropyrazol-1-yl)butanoic acid (CID 171324419) is 3-(4-fluoropyrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-(4-fluoropyrazol-1-yl)butanoic acid?
The canonical SMILES for 3-(4-fluoropyrazol-1-yl)butanoic acid is CC(CC(=O)O)n1cc(F)cn1.
What is the InChIKey of 3-(4-fluoropyrazol-1-yl)butanoic acid?
The InChIKey is GHMBMVDTXUWRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-5(2-7(11)12)10-4-6(8)3-9-10/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 3-(4-fluoropyrazol-1-yl)butanoic acid?
3-(4-fluoropyrazol-1-yl)butanoic acid has a molecular weight of 172.16 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropyrazol-1-yl)butanoic acid is sourced from PubChem (CID 171324419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).