(3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid

C28H26N4O3 — CID 68665680

IUPAC(3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C28H26N4O3/c33-27(32-17-16-31(28(34)35)19-23(32)18-20-10-4-1-5-11-20)26-24(21-12-6-2-7-13-21)25(29-30-26)22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,29,30)(H,34,35)/t23-/m1/s1
InChIKeyWGCYDRRQGHDNMF-HSZRJFAPSA-N
MW466.54 g/mol
LogP4.79
Rot. Bonds5

About (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid

(3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid (PubChem CID 68665680) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid
PubChem CID68665680
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name(3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C28H26N4O3/c33-27(32-17-16-31(28(34)35)19-23(32)18-20-10-4-1-5-11-20)26-24(21-12-6-2-7-13-21)25(29-30-26)22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,29,30)(H,34,35)/t23-/m1/s1
InChIKeyWGCYDRRQGHDNMF-HSZRJFAPSA-N
XLogP4.79
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic 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 (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid (CID 68665680) is (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1.
What is the InChIKey of (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid?
The InChIKey is WGCYDRRQGHDNMF-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H26N4O3/c33-27(32-17-16-31(28(34)35)19-23(32)18-20-10-4-1-5-11-20)26-24(21-12-6-2-7-13-21)25(29-30-26)22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,29,30)(H,34,35)/t23-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid?
(3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid has a molecular weight of 466.54 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 68665680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).