3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid

C15H14F3N3O4 — CID 119189866

IUPAC3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
SMILESO=C(O)CC(NC(=O)Cn1cccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)25-11-4-2-10(3-5-11)12(8-14(23)24)20-13(22)9-21-7-1-6-19-21/h1-7,12H,8-9H2,(H,20,22)(H,23,24)
InChIKeyVLYCQSACYGIOAK-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.11
Rot. Bonds7

About 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid

3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid (PubChem CID 119189866) has the molecular formula C15H14F3N3O4 and a molecular weight of 357.29 g/mol. Its IUPAC name is 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
PubChem CID119189866
Molecular FormulaC15H14F3N3O4
Molecular Weight357.29 g/mol
Exact Mass357.09
IUPAC Name3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
SMILESO=C(O)CC(NC(=O)Cn1cccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)25-11-4-2-10(3-5-11)12(8-14(23)24)20-13(22)9-21-7-1-6-19-21/h1-7,12H,8-9H2,(H,20,22)(H,23,24)
InChIKeyVLYCQSACYGIOAK-UHFFFAOYSA-N
XLogP2.11
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]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

Related Compounds

3-[[2-(5-methylthiophen-2-yl)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 119189880
3-(propylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 65235458
3-(2,3-dimethylbutanoylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 119189878
3-[[5-(dimethylamino)-5-oxopentanoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 119189897
3-(cyclopent-3-ene-1-carbonylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 119189903
(3R)-3-[[2-[(3S)-oxolan-3-yl]acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 125153738
3-(thiane-4-carbonylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 120516296
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 119189892
methyl 3-(4-aminopentanoylamino)-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 120560793
(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 92708068
formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide
CID 154910019
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid?
The IUPAC name of 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid (CID 119189866) is 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid is O=C(O)CC(NC(=O)Cn1cccn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid?
The InChIKey is VLYCQSACYGIOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4/c16-15(17,18)25-11-4-2-10(3-5-11)12(8-14(23)24)20-13(22)9-21-7-1-6-19-21/h1-7,12H,8-9H2,(H,20,22)(H,23,24).
What are the key properties of 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid?
3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid has a molecular weight of 357.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid is sourced from PubChem (CID 119189866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).