2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid

C8H11FN2O2 — CID 84660501

IUPAC2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnn(CCCF)c1
InChIInChI=1S/C8H11FN2O2/c9-2-1-3-11-6-7(5-10-11)4-8(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyXEUWXVDFBLQIFN-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.87
Rot. Bonds5

About 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid

2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid (PubChem CID 84660501) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid
PubChem CID84660501
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnn(CCCF)c1
InChIInChI=1S/C8H11FN2O2/c9-2-1-3-11-6-7(5-10-11)4-8(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyXEUWXVDFBLQIFN-UHFFFAOYSA-N
XLogP0.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid (CID 84660501) is 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid is O=C(O)Cc1cnn(CCCF)c1.
What is the InChIKey of 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid?
The InChIKey is XEUWXVDFBLQIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c9-2-1-3-11-6-7(5-10-11)4-8(12)13/h5-6H,1-4H2,(H,12,13).
What are the key properties of 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid?
2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid has a molecular weight of 186.19 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 84660501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).