2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid

C10H13F3N2O3 — CID 66938138

IUPAC2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid
SMILESCCC(C(=O)O)c1cnn(CCO)c1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-2-6(9(17)18)7-5-14-15(3-4-16)8(7)10(11,12)13/h5-6,16H,2-4H2,1H3,(H,17,18)
InChIKeyWBHWXFUJGMBLAO-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.47
Rot. Bonds5

About 2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid

2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid (PubChem CID 66938138) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid
PubChem CID66938138
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid
SMILESCCC(C(=O)O)c1cnn(CCO)c1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-2-6(9(17)18)7-5-14-15(3-4-16)8(7)10(11,12)13/h5-6,16H,2-4H2,1H3,(H,17,18)
InChIKeyWBHWXFUJGMBLAO-UHFFFAOYSA-N
XLogP1.47
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.47
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)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid (CID 66938138) is 2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid is CCC(C(=O)O)c1cnn(CCO)c1C(F)(F)F.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid?
The InChIKey is WBHWXFUJGMBLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-2-6(9(17)18)7-5-14-15(3-4-16)8(7)10(11,12)13/h5-6,16H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid?
2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid has a molecular weight of 266.22 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid is sourced from PubChem (CID 66938138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).