2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid

C15H22F3N3O2 — CID 134331610

IUPAC2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid
SMILESCC(CN1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1)C(=O)O
InChIInChI=1S/C15H22F3N3O2/c1-9(2)12-6-13(15(16,17)18)19-21(12)11-4-5-20(8-11)7-10(3)14(22)23/h6,9-11H,4-5,7-8H2,1-3H3,(H,22,23)
InChIKeyDJIIRIFBSYQXNV-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.99
Rot. Bonds5

About 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid

2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid (PubChem CID 134331610) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid
PubChem CID134331610
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid
SMILESCC(CN1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1)C(=O)O
InChIInChI=1S/C15H22F3N3O2/c1-9(2)12-6-13(15(16,17)18)19-21(12)11-4-5-20(8-11)7-10(3)14(22)23/h6,9-11H,4-5,7-8H2,1-3H3,(H,22,23)
InChIKeyDJIIRIFBSYQXNV-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-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 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid (CID 134331610) is 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid is CC(CN1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid?
The InChIKey is DJIIRIFBSYQXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-9(2)12-6-13(15(16,17)18)19-21(12)11-4-5-20(8-11)7-10(3)14(22)23/h6,9-11H,4-5,7-8H2,1-3H3,(H,22,23).
What are the key properties of 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid?
2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid has a molecular weight of 333.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 134331610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).