(3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid

C7H7F3N2O3 — CID 95933496

IUPAC(3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
SMILESO=C(O)C[C@H](O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)6-3(2-11-12-6)4(13)1-5(14)15/h2,4,13H,1H2,(H,11,12)(H,14,15)/t4-/m0/s1
InChIKeyVHPZXZJJKMWQSX-BYPYZUCNSA-N
MW224.14 g/mol
LogP0.94
Rot. Bonds3

About (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid

(3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid (PubChem CID 95933496) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
PubChem CID95933496
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name(3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
SMILESO=C(O)C[C@H](O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)6-3(2-11-12-6)4(13)1-5(14)15/h2,4,13H,1H2,(H,11,12)(H,14,15)/t4-/m0/s1
InChIKeyVHPZXZJJKMWQSX-BYPYZUCNSA-N
XLogP0.94
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid?
The IUPAC name of (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid (CID 95933496) is (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid?
The canonical SMILES for (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid is O=C(O)C[C@H](O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid?
The InChIKey is VHPZXZJJKMWQSX-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)6-3(2-11-12-6)4(13)1-5(14)15/h2,4,13H,1H2,(H,11,12)(H,14,15)/t4-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid?
(3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid has a molecular weight of 224.14 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 95933496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).