2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid

C19H25N3O3 — CID 138014421

IUPAC2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESCCN(C(=O)Cc1c(C)nn(C)c1C)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H25N3O3/c1-5-22(17(19(24)25)11-15-9-7-6-8-10-15)18(23)12-16-13(2)20-21(4)14(16)3/h6-10,17H,5,11-12H2,1-4H3,(H,24,25)
InChIKeyXFSHJYXUZFRZEF-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.12
Rot. Bonds7

About 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid

2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 138014421) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID138014421
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESCCN(C(=O)Cc1c(C)nn(C)c1C)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H25N3O3/c1-5-22(17(19(24)25)11-15-9-7-6-8-10-15)18(23)12-16-13(2)20-21(4)14(16)3/h6-10,17H,5,11-12H2,1-4H3,(H,24,25)
InChIKeyXFSHJYXUZFRZEF-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic 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-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid (CID 138014421) is 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid is CCN(C(=O)Cc1c(C)nn(C)c1C)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is XFSHJYXUZFRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-5-22(17(19(24)25)11-15-9-7-6-8-10-15)18(23)12-16-13(2)20-21(4)14(16)3/h6-10,17H,5,11-12H2,1-4H3,(H,24,25).
What are the key properties of 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid?
2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 343.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 138014421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).