(2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid

C29H28FN3O4 — CID 123811186

IUPAC(2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid
SMILESCC[C@](NC(=O)CCc1cc(-c2ccc(F)cc2)n(-c2ccc(OC)cc2)n1)(C(=O)O)c1ccccc1
InChIInChI=1S/C29H28FN3O4/c1-3-29(28(35)36,21-7-5-4-6-8-21)31-27(34)18-13-23-19-26(20-9-11-22(30)12-10-20)33(32-23)24-14-16-25(37-2)17-15-24/h4-12,14-17,19H,3,13,18H2,1-2H3,(H,31,34)(H,35,36)/t29-/m1/s1
InChIKeyOJCKOFBTBUYUIA-GDLZYMKVSA-N
MW501.56 g/mol
LogP5.13
Rot. Bonds10

About (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid

(2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid (PubChem CID 123811186) has the molecular formula C29H28FN3O4 and a molecular weight of 501.56 g/mol. Its IUPAC name is (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid
PubChem CID123811186
Molecular FormulaC29H28FN3O4
Molecular Weight501.56 g/mol
Exact Mass501.21
IUPAC Name(2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid
SMILESCC[C@](NC(=O)CCc1cc(-c2ccc(F)cc2)n(-c2ccc(OC)cc2)n1)(C(=O)O)c1ccccc1
InChIInChI=1S/C29H28FN3O4/c1-3-29(28(35)36,21-7-5-4-6-8-21)31-27(34)18-13-23-19-26(20-9-11-22(30)12-10-20)33(32-23)24-14-16-25(37-2)17-15-24/h4-12,14-17,19H,3,13,18H2,1-2H3,(H,31,34)(H,35,36)/t29-/m1/s1
InChIKeyOJCKOFBTBUYUIA-GDLZYMKVSA-N
XLogP5.13
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic 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 (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid?
The IUPAC name of (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid (CID 123811186) is (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid.
What is the SMILES notation for (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid?
The canonical SMILES for (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid is CC[C@](NC(=O)CCc1cc(-c2ccc(F)cc2)n(-c2ccc(OC)cc2)n1)(C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid?
The InChIKey is OJCKOFBTBUYUIA-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H28FN3O4/c1-3-29(28(35)36,21-7-5-4-6-8-21)31-27(34)18-13-23-19-26(20-9-11-22(30)12-10-20)33(32-23)24-14-16-25(37-2)17-15-24/h4-12,14-17,19H,3,13,18H2,1-2H3,(H,31,34)(H,35,36)/t29-/m1/s1.
What are the key properties of (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid?
(2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid has a molecular weight of 501.56 g/mol, XLogP of 5.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoylamino]-2-phenylbutanoic acid is sourced from PubChem (CID 123811186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).