(2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

C18H22N6O2S — CID 129329607

IUPAC(2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C18H22N6O2S/c1-22-9-10-24(14-17(22)18-19-7-8-20-18)27(25,26)16-11-21-23(13-16)12-15-5-3-2-4-6-15/h2-8,11,13,17H,9-10,12,14H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyFZPXSZSYMMVGRJ-QGZVFWFLSA-N
MW386.48 g/mol
LogP1.33
Rot. Bonds5

About (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

(2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 129329607) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name(2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID129329607
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name(2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C18H22N6O2S/c1-22-9-10-24(14-17(22)18-19-7-8-20-18)27(25,26)16-11-21-23(13-16)12-15-5-3-2-4-6-15/h2-8,11,13,17H,9-10,12,14H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyFZPXSZSYMMVGRJ-QGZVFWFLSA-N
XLogP1.33
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (CID 129329607) is (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is CN1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is FZPXSZSYMMVGRJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-22-9-10-24(14-17(22)18-19-7-8-20-18)27(25,26)16-11-21-23(13-16)12-15-5-3-2-4-6-15/h2-8,11,13,17H,9-10,12,14H2,1H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
(2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 386.48 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 129329607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).