(2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine

C26H26N4O2S — CID 59324812

IUPAC(2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cnn(-c2ccccc2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H26N4O2S/c31-33(32,29-17-16-27-19-24(29)18-21-10-4-1-5-11-21)25-20-28-30(23-14-8-3-9-15-23)26(25)22-12-6-2-7-13-22/h1-15,20,24,27H,16-19H2/t24-/m1/s1
InChIKeyQMVKKDFRKVOABV-XMMPIXPASA-N
MW458.59 g/mol
LogP3.74
Rot. Bonds6

About (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine

(2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 59324812) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine
PubChem CID59324812
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC Name(2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cnn(-c2ccccc2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H26N4O2S/c31-33(32,29-17-16-27-19-24(29)18-21-10-4-1-5-11-21)25-20-28-30(23-14-8-3-9-15-23)26(25)22-12-6-2-7-13-22/h1-15,20,24,27H,16-19H2/t24-/m1/s1
InChIKeyQMVKKDFRKVOABV-XMMPIXPASA-N
XLogP3.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine (CID 59324812) is (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine is O=S(=O)(c1cnn(-c2ccccc2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is QMVKKDFRKVOABV-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N4O2S/c31-33(32,29-17-16-27-19-24(29)18-21-10-4-1-5-11-21)25-20-28-30(23-14-8-3-9-15-23)26(25)22-12-6-2-7-13-22/h1-15,20,24,27H,16-19H2/t24-/m1/s1.
What are the key properties of (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine?
(2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 458.59 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 59324812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).