1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine

C18H19N5O2S — CID 53181823

IUPAC1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccncc3)[nH]n2)CC1
InChIInChI=1S/C18H19N5O2S/c24-26(25,16-4-2-1-3-5-16)23-12-10-22(11-13-23)18-14-17(20-21-18)15-6-8-19-9-7-15/h1-9,14H,10-13H2,(H,20,21)
InChIKeyJBFRBMNRCVEBLH-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.98
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine

1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine (PubChem CID 53181823) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine
PubChem CID53181823
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccncc3)[nH]n2)CC1
InChIInChI=1S/C18H19N5O2S/c24-26(25,16-4-2-1-3-5-16)23-12-10-22(11-13-23)18-14-17(20-21-18)15-6-8-19-9-7-15/h1-9,14H,10-13H2,(H,20,21)
InChIKeyJBFRBMNRCVEBLH-UHFFFAOYSA-N
XLogP1.98
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine (CID 53181823) is 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine is O=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccncc3)[nH]n2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine?
The InChIKey is JBFRBMNRCVEBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-26(25,16-4-2-1-3-5-16)23-12-10-22(11-13-23)18-14-17(20-21-18)15-6-8-19-9-7-15/h1-9,14H,10-13H2,(H,20,21).
What are the key properties of 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine?
1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine has a molecular weight of 369.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine is sourced from PubChem (CID 53181823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).