(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

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Related Compounds

(3R)-3-benzyl-4-[1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68665283
(2R)-2-[[4-(hydroxymethyl)phenyl]methyl]piperazine-1,4-dicarboxylic acid
CID 68665483
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 95092319
(3R)-3-benzyl-4-[1-[(1S)-2-oxocyclohexyl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68989002
1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one
CID 110477513
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
(3R)-3-benzyl-4-[5-phenyl-1-[(1S,2S)-2-prop-2-enoxycyclohexyl]imidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68992214
2-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid
CID 177187775
1-[3-benzyl-4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 172895728
(3R)-3-benzyl-4-[1-(2-oxo-1-phenylazepan-3-yl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68665550
(3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68663890
(3R)-3-benzyl-4-[4-[4-(trifluoromethoxy)phenyl]triazole-2-carbonyl]piperazine-1-carboxylic acid
CID 137351996

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).