3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid

C7H9FN2O3 — CID 137405485

IUPAC3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(Cn1cc(F)cn1)C(=O)O
InChIInChI=1S/C7H9FN2O3/c1-7(13,6(11)12)4-10-3-5(8)2-9-10/h2-3,13H,4H2,1H3,(H,11,12)
InChIKeyQUQTWCHTMHBNQJ-UHFFFAOYSA-N
MW188.16 g/mol
LogP-0.14
Rot. Bonds3

About 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid

3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 137405485) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID137405485
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(Cn1cc(F)cn1)C(=O)O
InChIInChI=1S/C7H9FN2O3/c1-7(13,6(11)12)4-10-3-5(8)2-9-10/h2-3,13H,4H2,1H3,(H,11,12)
InChIKeyQUQTWCHTMHBNQJ-UHFFFAOYSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid (CID 137405485) is 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid is CC(O)(Cn1cc(F)cn1)C(=O)O.
What is the InChIKey of 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is QUQTWCHTMHBNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c1-7(13,6(11)12)4-10-3-5(8)2-9-10/h2-3,13H,4H2,1H3,(H,11,12).
What are the key properties of 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid?
3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 188.16 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 137405485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).