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

C8H9F3N2O3 — CID 66937924

IUPAC2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(CCO)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)7-5(3-6(15)16)4-13(12-7)1-2-14/h4,14H,1-3H2,(H,15,16)
InChIKeySLYWOSDFSPYHRX-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.52
Rot. Bonds4

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

2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid (PubChem CID 66937924) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid
PubChem CID66937924
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(CCO)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)7-5(3-6(15)16)4-13(12-7)1-2-14/h4,14H,1-3H2,(H,15,16)
InChIKeySLYWOSDFSPYHRX-UHFFFAOYSA-N
XLogP0.52
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid (CID 66937924) is 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid is O=C(O)Cc1cn(CCO)nc1C(F)(F)F.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid?
The InChIKey is SLYWOSDFSPYHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c9-8(10,11)7-5(3-6(15)16)4-13(12-7)1-2-14/h4,14H,1-3H2,(H,15,16).
What are the key properties of 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid?
2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid has a molecular weight of 238.16 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 66937924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).