(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

C10H10BrF3N2O2 — CID 40599289

IUPAC(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C10H10BrF3N2O2/c1-4(9(17)18)16-7(5-2-3-5)6(11)8(15-16)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)/t4-/m0/s1
InChIKeyNJGIZAQGXBXLJL-BYPYZUCNSA-N
MW327.10 g/mol
LogP3.19
Rot. Bonds3

About (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 40599289) has the molecular formula C10H10BrF3N2O2 and a molecular weight of 327.10 g/mol. Its IUPAC name is (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID40599289
Molecular FormulaC10H10BrF3N2O2
Molecular Weight327.10 g/mol
Exact Mass325.99
IUPAC Name(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C10H10BrF3N2O2/c1-4(9(17)18)16-7(5-2-3-5)6(11)8(15-16)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)/t4-/m0/s1
InChIKeyNJGIZAQGXBXLJL-BYPYZUCNSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-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 (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 40599289) is (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is C[C@@H](C(=O)O)n1nc(C(F)(F)F)c(Br)c1C1CC1.
What is the InChIKey of (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is NJGIZAQGXBXLJL-BYPYZUCNSA-N. The full InChI is InChI=1S/C10H10BrF3N2O2/c1-4(9(17)18)16-7(5-2-3-5)6(11)8(15-16)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)/t4-/m0/s1.
What are the key properties of (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 327.10 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 40599289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).