3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid

C7H6FN3O2 — CID 84658831

IUPAC3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid
SMILESN#Cc1cnn(CC(F)C(=O)O)c1
InChIInChI=1S/C7H6FN3O2/c8-6(7(12)13)4-11-3-5(1-9)2-10-11/h2-3,6H,4H2,(H,12,13)
InChIKeyDZSWLFHJRFZSEH-UHFFFAOYSA-N
MW183.14 g/mol
LogP0.18
Rot. Bonds3

About 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid

3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid (PubChem CID 84658831) has the molecular formula C7H6FN3O2 and a molecular weight of 183.14 g/mol. Its IUPAC name is 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid
PubChem CID84658831
Molecular FormulaC7H6FN3O2
Molecular Weight183.14 g/mol
Exact Mass183.04
IUPAC Name3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid
SMILESN#Cc1cnn(CC(F)C(=O)O)c1
InChIInChI=1S/C7H6FN3O2/c8-6(7(12)13)4-11-3-5(1-9)2-10-11/h2-3,6H,4H2,(H,12,13)
InChIKeyDZSWLFHJRFZSEH-UHFFFAOYSA-N
XLogP0.18
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid?
The IUPAC name of 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid (CID 84658831) is 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid?
The canonical SMILES for 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid is N#Cc1cnn(CC(F)C(=O)O)c1.
What is the InChIKey of 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid?
The InChIKey is DZSWLFHJRFZSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O2/c8-6(7(12)13)4-11-3-5(1-9)2-10-11/h2-3,6H,4H2,(H,12,13).
What are the key properties of 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid?
3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid has a molecular weight of 183.14 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid is sourced from PubChem (CID 84658831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).